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Indolecarboxamides and derivatives

Description:

Compounds containing a carboxamide group attached to an indole.
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  1. Deleobuvir (BI-207127)
      Grade & Purity: 
    • ≥95%
    Cas Number: 863884-77-9        Compound CID:  56948249
    Formula:  C34H33BrN6O3        Molecular Weight: 653.6
    IUPAC Name:  (E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]prop-2-enoic acid
    SMILES:  CN1C2=C(C=CC(=C2)C(=O)NC3(CCC3)C4=NC5=C(N4C)C=C(C=C5)C=CC(=O)O)C(=C1C6=NC=C(C=N6)Br)C7CCCC7
    InChIKey: BMAIGAHXAJEULY-UKTHLTGXSA-N
    InChI:  InChI=1S/C34H33BrN6O3/c1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)show more
  2. SB269652
      Grade & Purity: 
    • ≥98%
    Cas Number: 215802-15-6        Compound CID:  9910352
    Formula:  C27H30N4O        Molecular Weight: 426.55
    IUPAC Name:  N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide
    SMILES:  C1CC(CCC1CCN2CCC3=C(C2)C=C(C=C3)C#N)NC(=O)C4=CC5=CC=CC=C5N4
    InChIKey: JGLGOAQPUQITLD-UHFFFAOYSA-N
    InChI:  InChI=1S/C27H30N4O/c28-17-20-5-8-21-12-14-31(18-23(21)15-20)13-11-19-6-9-24(10-7-19)29-27(32)26-16-22-3-1-2-4-25(22)30-26/h1-5,8,15-16,19,24,30H,6-7,9show more
  3. 2-(Piperazin-1-ylcarbonyl)-1H-indole
      Grade & Purity: 
    • ≥98%
    Cas Number: 136818-95-6        Compound CID:  921599
    Formula:  C13H15N3O        Molecular Weight: 229.28
    IUPAC Name:  1H-indol-2-yl(piperazin-1-yl)methanone
    SMILES:  C1CN(CCN1)C(=O)C2=CC3=CC=CC=C3N2
    InChIKey: FIVCRRVYLAXYFC-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H15N3O/c17-13(16-7-5-14-6-8-16)12-9-10-3-1-2-4-11(10)15-12/h1-4,9,14-15H,5-8H2
  4. 1H-Indole-5-carbohydrazide
      Grade & Purity: 
    • ≥95%
    Cas Number: 406192-82-3        Compound CID:  22722154
    Formula:  C9H9N3O        Molecular Weight: 175.19
    IUPAC Name:  1H-indole-5-carbohydrazide
    SMILES:  C1=CC2=C(C=CN2)C=C1C(=O)NN
    InChIKey: BIQATJKKTYPJHK-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H9N3O/c10-12-9(13)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,10H2,(H,12,13)
  5. 5-bromo-1H-indole-7-carboxamide
      Grade & Purity: 
    • ≥95%
    Cas Number: 860624-91-5        Compound CID:  59600657
    Formula:  C9H7BrN2O        Molecular Weight: 239.07
    IUPAC Name:  5-bromo-1H-indole-7-carboxamide
    SMILES:  C1=CNC2=C(C=C(C=C21)Br)C(=O)N
    InChIKey: DRIDRCGADKYDQD-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H7BrN2O/c10-6-3-5-1-2-12-8(5)7(4-6)9(11)13/h1-4,12H,(H2,11,13)
  6. 5-Chloro-1H-indole-2-carboxamide
      Grade & Purity: 
    • ≥97%
    Cas Number: 21109-01-3        Compound CID:  4777713
    Formula:  C9H7ClN2O        Molecular Weight: 194.62
    IUPAC Name:  5-chloro-1H-indole-2-carboxamide
    SMILES:  C1=CC2=C(C=C1Cl)C=C(N2)C(=O)N
    InChIKey: GZILZCCGDNKAAV-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H7ClN2O/c10-6-1-2-7-5(3-6)4-8(12-7)9(11)13/h1-4,12H,(H2,11,13)
  7. (1H-Indol-2-yl)(4-methylpiperazin-1-yl)methanone
      Grade & Purity: 
    • ≥97%
    Cas Number: 73187-30-1
    IUPAC Name:  1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone
    SMILES:  CN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3N2
    InChIKey: YHFMZBHLJMFAID-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3
  8. 1-Methyl-1H-indole-3-carboxamide
      Grade & Purity: 
    • ≥95%
    Cas Number: 118959-44-7        Compound CID:  823187
    Formula:  C10H10N2O        Molecular Weight: 174.2
    IUPAC Name:  1-methylindole-3-carboxamide
    SMILES:  CN1C=C(C2=CC=CC=C21)C(=O)N
    InChIKey: UHQHFXKJFJHBAE-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H10N2O/c1-12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H2,11,13)
  9. 4-Bromo-1H-indole-7-carboxamide
      Grade & Purity: 
    • ≥97%
    Cas Number: 1211596-82-5
    Formula:  C9H7BrN2O        Molecular Weight: 239.07
    IUPAC Name:  4-bromo-1H-indole-7-carboxamide
    SMILES:  C1=CC(=C2C=CNC2=C1C(=O)N)Br
    InChIKey: SRGYDNIXPOHONC-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H7BrN2O/c10-7-2-1-6(9(11)13)8-5(7)3-4-12-8/h1-4,12H,(H2,11,13)
  10. Pruvanserin
    Cas Number: 443144-26-1        Compound CID:  6433122
    Formula:  C22H21FN4O        Molecular Weight: 376.4
    IUPAC Name:  7-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile
    SMILES:  C1CN(CCN1CCC2=CC=C(C=C2)F)C(=O)C3=CC=CC4=C3NC=C4C#N
    InChIKey: AQRLDDAFYYAIJP-UHFFFAOYSA-N
    InChI:  InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2
    Synonyms: Pruvanserin | LSN2422347 | UL09X1D9EM | LY2420586 | LY-2422347 FREE BASE | 1H-Indole-3-carbonitrile, 7-[[4-[2-(4-fluo...
  11. Duocarmycin SA
      Grade & Purity: 
    • ≥98%
    Cas Number: 130288-24-3        Compound CID:  115369
    Formula:  C25H23N3O7        Molecular Weight: 477.47
    IUPAC Name:  methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
    SMILES:  COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC4CC45C3=CC(=O)C6=C5C=C(N6)C(=O)OC)OC)OC
    InChIKey: VQNATVDKACXKTF-XELLLNAOSA-N
    InChI:  InChI=1S/C25H23N3O7/c1-32-17-6-11-5-14(26-19(11)22(34-3)21(17)33-2)23(30)28-10-12-9-25(12)13-7-15(24(31)35-4)27-20(13)16(29)8-18(25)28/h5-8,12,26-27H,show more
    Synonyms: SCHEMBL61916 | DTXSID30926663 | AKOS032946598 | Cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,4,5,8,8a-hex...
  12. DC0-NH2
      Grade & Purity: 
    • ≥95%
    Cas Number: 615538-51-7        Compound CID:  12082753
    Formula:  C31H24ClN5O3        Molecular Weight: 550.01
    IUPAC Name:  5-amino-N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide
    SMILES:  C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=C(N5)C=CC(=C6)N)C=C(C7=CC=CC=C72)O)CCl
    InChIKey: PANFWPQOVGEWSD-GOSISDBHSA-N
    InChI:  InChI=1S/C31H24ClN5O3/c32-14-18-15-37(27-13-28(38)21-3-1-2-4-22(21)29(18)27)31(40)26-12-17-10-20(6-8-24(17)36-26)34-30(39)25-11-16-9-19(33)5-7-23(16)3show more
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