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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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6-chloro-1H-pyrazolo[3，4-d]pyrimidin-4-amineCas Number: 5417-78-7 Compound CID: 223686Formula: C5H4ClN5 Molecular Weight: 169.57IUPAC Name: 6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-amineSMILES: C1=NNC2=NC(=NC(=C21)N)ClInChIKey: BRZGPZOZVWMCDL-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClN5/c6-5-9-3(7)2-1-8-11-4(2)10-5/h1H,(H3,7,8,9,10,11) -
6-bromopyrazolo[1，5-a]pyrimidine-2-carboxylic acidCas Number: 300717-72-0 Compound CID: 771938Formula: C7H4BrN3O2 Molecular Weight: 242.04IUPAC Name: 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acidSMILES: C1=C2N=CC(=CN2N=C1C(=O)O)BrInChIKey: WDICXYMIEJAABR-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrN3O2/c8-4-2-9-6-1-5(7(12)13)10-11(6)3-4/h1-3H,(H,12,13)
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5-Cyclopropyl-7-(difluoromethyl)pyrazolo[1，5-a]pyrimidine-3-carboxylic acidCas Number: 438227-80-6 Compound CID: 1096391Formula: C11H9F2N3O2 Molecular Weight: 253.21IUPAC Name: 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acidSMILES: C1CC1C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)OInChIKey: AZZCLQRJWLKGDA-UHFFFAOYSA-NInChI: InChI=1S/C11H9F2N3O2/c12-9(13)8-3-7(5-1-2-5)15-10-6(11(17)18)4-14-16(8)10/h3-5,9H,1-2H2,(H,17,18)
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5-(Furan-2-yl)-7-(trifluoromethyl)pyrazolo[1，5-a]pyrimidine-2-carboxylic acidCas Number: 313968-60-4 Compound CID: 676371Formula: C12H6F3N3O3 Molecular Weight: 297.193IUPAC Name: 5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acidSMILES: C1=COC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)OInChIKey: DWERTUCXEXDQSY-UHFFFAOYSA-NInChI: InChI=1S/C12H6F3N3O3/c13-12(14,15)9-4-6(8-2-1-3-21-8)16-10-5-7(11(19)20)17-18(9)10/h1-5H,(H,19,20)
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4-chloro-1-methyl-1H-pyrazolo[3，4-d]pyrimidin-6-amineCas Number: 100644-66-4 Compound CID: 20785205Formula: C6H6ClN5 Molecular Weight: 183.6IUPAC Name: 4-chloro-1-methylpyrazolo[3,4-d]pyrimidin-6-amineSMILES: CN1C2=C(C=N1)C(=NC(=N2)N)ClInChIKey: LSZNUJWHYLMPRG-UHFFFAOYSA-NInChI: InChI=1S/C6H6ClN5/c1-12-5-3(2-9-12)4(7)10-6(8)11-5/h2H,1H3,(H2,8,10,11)
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1H-Pyrazolo[3，4-d]pyrimidine-4，6-diamineCas Number: 5413-80-9 Compound CID: 222233Formula: C5H6N6 Molecular Weight: 150.14IUPAC Name: 1H-pyrazolo[3,4-d]pyrimidine-4,6-diamineSMILES: C1=NNC2=NC(=NC(=C21)N)NInChIKey: NXSAXOJMBFFHSG-UHFFFAOYSA-NInChI: InChI=1S/C5H6N6/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H5,6,7,8,9,10,11)
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2-((tert-Butoxycarbonyl)amino)pyrazolo[1，5-a]pyrimidine-3-carboxylic acidCas Number: 1383056-73-2 Compound CID: 66851504Formula: C12H14N4O4 Molecular Weight: 278.26IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acidSMILES: CC(C)(C)OC(=O)NC1=NN2C=CC=NC2=C1C(=O)OInChIKey: YJHHNBKLVFDPJO-UHFFFAOYSA-NInChI: InChI=1S/C12H14N4O4/c1-12(2,3)20-11(19)14-8-7(10(17)18)9-13-5-4-6-16(9)15-8/h4-6H,1-3H3,(H,17,18)(H,14,15,19)
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1-methyl-1H-pyrazolo[3，4-d]pyrimidin-4-amineCas Number: 5334-99-6 Compound CID: 94753Formula: C6H7N5 Molecular Weight: 149.16IUPAC Name: 1-methylpyrazolo[3,4-d]pyrimidin-4-amineSMILES: CN1C2=NC=NC(=C2C=N1)NInChIKey: JBMTUXVKTGBMLE-UHFFFAOYSA-NInChI: InChI=1S/C6H7N5/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3,(H2,7,8,9)
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ethyl pyrazolo[1,5-a]pyrimidine-5-carboxylateCas Number: 619306-82-0 Compound CID: 49763022Formula: C9H9N3O2IUPAC Name: ethyl pyrazolo[1,5-a]pyrimidine-5-carboxylateSMILES: CCOC(=O)C1=NC2=CC=NN2C=C1InChIKey: HYUFVJBUUUVJOG-UHFFFAOYSA-NInChI: InChI=1S/C9H9N3O2/c1-2-14-9(13)7-4-6-12-8(11-7)3-5-10-12/h3-6H,2H2,1H3
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ethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylateCas Number: 96319-21-0 Compound CID: 13425188Formula: C10H11N3O2 Molecular Weight: 205.21SMILES: CCOC(=O)C1=C2N=CC=CN2N=C1CInChIKey: BWSGNJCQTWVCQP-UHFFFAOYSA-NInChI: InChI=1S/C10H11N3O2/c1-3-15-10(14)8-7(2)12-13-6-4-5-11-9(8)13/h4-6H,3H2,1-2H3
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7-bromopyrazolo[1,5-a]pyrimidineCas Number: 1159983-04-6 Compound CID: 49761497Formula: C6H4BrN3 Molecular Weight: 198.02SMILES: C1=C2N=CC=C(N2N=C1)BrInChIKey: YJWUFQQFTWOGBS-UHFFFAOYSA-NInChI: InChI=1S/C6H4BrN3/c7-5-1-3-8-6-2-4-9-10(5)6/h1-4H
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5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehydeCas Number: 1256162-94-3 Compound CID: 58196401Formula: C7H4ClN3O Molecular Weight: 181.58IUPAC Name: 5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehydeSMILES: C1=CN2C(=C(C=N2)C=O)N=C1ClInChIKey: NYWPUMGVBDABLA-UHFFFAOYSA-NInChI: InChI=1S/C7H4ClN3O/c8-6-1-2-11-7(10-6)5(4-12)3-9-11/h1-4H
