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Pyrazolopyrimidines
Description:
Compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.
Ancestors:
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3-Bromo-1-(tert-butyl)-1H-pyrazolo[3，4-d]pyrimidin-4-amineCas Number: 862728-61-8 Compound CID: 58597145Formula: C9H12BrN5 Molecular Weight: 270.13IUPAC Name: 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amineSMILES: CC(C)(C)N1C2=NC=NC(=C2C(=N1)Br)NInChIKey: SOSYGGKAIVNKLX-UHFFFAOYSA-NInChI: InChI=1S/C9H12BrN5/c1-9(2,3)15-8-5(6(10)14-15)7(11)12-4-13-8/h4H,1-3H3,(H2,11,12,13) -
1H-Pyrazolo[4,3-d]pyrimidine-5,7-diolCas Number: 135787-30-3Formula: C5H4N4O2 Molecular Weight: 152.11IUPAC Name: 1,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dioneSMILES: C1=NNC2=C1NC(=O)NC2=OInChIKey: HUUOMBLAKHBLFV-UHFFFAOYSA-NInChI: InChI=1S/C5H4N4O2/c10-4-3-2(1-6-9-3)7-5(11)8-4/h1H,(H,6,9)(H2,7,8,10,11)
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1H-Pyrazolo[3，4-d]pyrimidin-6-amineCas Number: 287177-82-6 Compound CID: 19692156Formula: C5H5N5 Molecular Weight: 135.13IUPAC Name: 1H-pyrazolo[3,4-d]pyrimidin-6-amineSMILES: C1=C2C=NNC2=NC(=N1)NInChIKey: SMXRCJBCWRHDJE-UHFFFAOYSA-NInChI: InChI=1S/C5H5N5/c6-5-7-1-3-2-8-10-4(3)9-5/h1-2H,(H3,6,7,8,9,10)
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SCH900776 S-isomerCas Number: 891494-64-7 Compound CID: 46239014Formula: C15H18BrN7 Molecular Weight: 376.25IUPAC Name: 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amineSMILES: CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)C4CCCNC4InChIKey: GMIZZEXBPRLVIV-VIFPVBQESA-NInChI: InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m0/s1
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Pyrazolo[1，5-a]pyrimidine-3-carboxamideCas Number: 774549-55-2 Compound CID: 17382655Formula: C7H6N4O Molecular Weight: 162.15IUPAC Name: pyrazolo[1,5-a]pyrimidine-3-carboxamideSMILES: C1=CN2C(=C(C=N2)C(=O)N)N=C1InChIKey: XMRIUEGHBZTNND-UHFFFAOYSA-NInChI: InChI=1S/C7H6N4O/c8-6(12)5-4-10-11-3-1-2-9-7(5)11/h1-4H,(H2,8,12)
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Ethyl 7-chloropyrazolo[1，5-a]pyrimidine-5-carboxylateCas Number: 61098-37-1 Compound CID: 12366074Formula: C9H8ClN3O2 Molecular Weight: 225.63IUPAC Name: ethyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylateSMILES: CCOC(=O)C1=NC2=CC=NN2C(=C1)ClInChIKey: XZOUEGUVGJXUHL-UHFFFAOYSA-NInChI: InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-7(10)13-8(12-6)3-4-11-13/h3-5H,2H2,1H3
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Ethyl 6-bromopyrazolo[1，5-a]pyrimidine-3-carboxylateCas Number: 1027511-41-6Formula: C9H8N3O2Br Molecular Weight: 270.08IUPAC Name: ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylateSMILES: CCOC(=O)c1cnn2cc(Br)cnc12InChIKey: PZZTXIWJXOMKEU-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-4-12-13-5-6(10)3-11-8(7)13/h3-5H,2H2,1H3
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Ethyl 3-bromo-7-hydroxypyrazolo[1，5-a]pyrimidine-6-carboxylateCas Number: 43024-63-1 Compound CID: 18526368IUPAC Name: ethyl 3-bromo-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylateSMILES: CCOC(=O)C1=CN=C2C(=CNN2C1=O)BrInChIKey: LXWMEORHWAYXKN-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrN3O3/c1-2-16-9(15)5-3-11-7-6(10)4-12-13(7)8(5)14/h3-4,12H,2H2,1H3
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6-Chloro-3-methyl-1H-pyrazolo[3，4-d]pyrimidineCas Number: 871254-63-6 Compound CID: 17569283Formula: C6H5ClN4 Molecular Weight: 168.58SMILES: CC1=C2C=NC(=NC2=NN1)ClInChIKey: GAIAJUYBHMCMHP-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClN4/c1-3-4-2-8-6(7)9-5(4)11-10-3/h2H,1H3,(H,8,9,10,11)
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6-Aminopyrazolo[1，5-a]pyrimidineCas Number: 1018125-39-7 Compound CID: 25247836Formula: C6H6N4 Molecular Weight: 134.14IUPAC Name: pyrazolo[1,5-a]pyrimidin-6-amineSMILES: C1=C2N=CC(=CN2N=C1)NInChIKey: QBONEWMRHLTZCX-UHFFFAOYSA-NInChI: InChI=1S/C6H6N4/c7-5-3-8-6-1-2-9-10(6)4-5/h1-4H,7H2
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4，7-dihydro-7-oxopyrazolo[1，5-a]pyrimidine-6-carboxylicacidCas Number: 197367-75-2 Compound CID: 16106426Formula: C7H5N3O3 Molecular Weight: 179.14IUPAC Name: 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acidSMILES: C1=CNN2C1=NC=C(C2=O)C(=O)OInChIKey: BUHKSVAVVBZSKM-UHFFFAOYSA-NInChI: InChI=1S/C7H5N3O3/c11-6-4(7(12)13)3-8-5-1-2-9-10(5)6/h1-3,9H,(H,12,13)
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4，6-Dichloro-1-isopropyl-1H-pyrazolo[3，4-d]pyrimidineCas Number: 21254-22-8 Compound CID: 42609352Formula: C8H8Cl2N4 Molecular Weight: 231.08IUPAC Name: 4,6-dichloro-1-propan-2-ylpyrazolo[3,4-d]pyrimidineSMILES: CC(C)N1C2=C(C=N1)C(=NC(=N2)Cl)ClInChIKey: SHTPXXJWYCEZPN-UHFFFAOYSA-NInChI: InChI=1S/C8H8Cl2N4/c1-4(2)14-7-5(3-11-14)6(9)12-8(10)13-7/h3-4H,1-2H3
