3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one

C91H76N30O5 — CID 159753794

IUPAC3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one
SMILESCCN(CC)C(=O)c1cnc2n[nH]c(-c3nc4ccccc4[nH]3)c2c1.CCNC(=O)c1cncc(-c2cnc3n[nH]c(-c4nc5ccccc5[nH]4)c3c2)c1.CN(C)C(=O)c1cnc2n[nH]c(-c3nc4ccccc4[nH]3)c2c1.COc1ccccc1-c1ccc2c(-c3nc4ccccc4[nH]3)[nH]nc2n1.O=C1NCCc2nc3n[nH]c(-c4nc5ccccc5[nH]4)c3cc21
InChIInChI=1S/C21H17N7O.C20H15N5O.C18H18N6O.C16H12N6O.C16H14N6O/c1-2-23-21(29)14-7-12(9-22-10-14)13-8-15-18(27-28-19(15)24-11-13)20-25-16-5-3-4-6-17(16)26-20;1-26-17-9-5-2-6-12(17)14-11-10-13-18(24-25-19(13)21-14)20-22-15-7-3-4-8-16(15)23-20;1-3-24(4-2)18(25)11-9-12-15(22-23-16(12)19-10-11)17-20-13-7-5-6-8-14(13)21-17;23-16-8-7-9-13(15-19-11-3-1-2-4-12(11)20-15)21-22-14(9)18-10(8)5-6-17-16;1-22(2)16(23)9-7-10-13(20-21-14(10)17-8-9)15-18-11-5-3-4-6-12(11)19-15/h3-11H,2H2,1H3,(H,23,29)(H,25,26)(H,24,27,28);2-11H,1H3,(H,22,23)(H,21,24,25);5-10H,3-4H2,1-2H3,(H,20,21)(H,19,22,23);1-4,7H,5-6H2,(H,17,23)(H,19,20)(H,18,21,22);3-8H,1-2H3,(H,18,19)(H,17,20,21)
InChIKeyNDZKBUHEADDUFS-UHFFFAOYSA-N
MW1669.81 g/mol
LogP14.46
Rot. Bonds14

About 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one

3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one (PubChem CID 159753794) has the molecular formula C91H76N30O5 and a molecular weight of 1669.81 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one
PubChem CID159753794
Molecular FormulaC91H76N30O5
Molecular Weight1669.81 g/mol
Exact Mass1668.66
IUPAC Name3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one
SMILESCCN(CC)C(=O)c1cnc2n[nH]c(-c3nc4ccccc4[nH]3)c2c1.CCNC(=O)c1cncc(-c2cnc3n[nH]c(-c4nc5ccccc5[nH]4)c3c2)c1.CN(C)C(=O)c1cnc2n[nH]c(-c3nc4ccccc4[nH]3)c2c1.COc1ccccc1-c1ccc2c(-c3nc4ccccc4[nH]3)[nH]nc2n1.O=C1NCCc2nc3n[nH]c(-c4nc5ccccc5[nH]4)c3cc21
InChIInChI=1S/C21H17N7O.C20H15N5O.C18H18N6O.C16H12N6O.C16H14N6O/c1-2-23-21(29)14-7-12(9-22-10-14)13-8-15-18(27-28-19(15)24-11-13)20-25-16-5-3-4-6-17(16)26-20;1-26-17-9-5-2-6-12(17)14-11-10-13-18(24-25-19(13)21-14)20-22-15-7-3-4-8-16(15)23-20;1-3-24(4-2)18(25)11-9-12-15(22-23-16(12)19-10-11)17-20-13-7-5-6-8-14(13)21-17;23-16-8-7-9-13(15-19-11-3-1-2-4-12(11)20-15)21-22-14(9)18-10(8)5-6-17-16;1-22(2)16(23)9-7-10-13(20-21-14(10)17-8-9)15-18-11-5-3-4-6-12(11)19-15/h3-11H,2H2,1H3,(H,23,29)(H,25,26)(H,24,27,28);2-11H,1H3,(H,22,23)(H,21,24,25);5-10H,3-4H2,1-2H3,(H,20,21)(H,19,22,23);1-4,7H,5-6H2,(H,17,23)(H,19,20)(H,18,21,22);3-8H,1-2H3,(H,18,19)(H,17,20,21)
InChIKeyNDZKBUHEADDUFS-UHFFFAOYSA-N
XLogP14.46
TPSA472.19 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001669.81
LogP ≤ 514.46
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one with MolForge

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Related Compounds

N-[5-[7-fluoro-8-[4-[2-[6-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-3-yl]-3,4-dihydroimidazo[4,5-b]azepin-8-yl]furan-2-yl]-4-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-1,2-dihydrocinnolin-6-yl]-3-pyridinyl]benzamide
CID 145037079
N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 145037485
N-[3-[2-[5-(5-amino-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N'-[[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-1-yl]methyl]-N'-methylethane-1,2-diamine
CID 145664901
2-[4-[4-[5-[4-[3-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]phenyl]-5-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluoro-6-methoxyphenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide
CID 155281213
(2,6-difluoro-3-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-fluoro-4-methoxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-fluoro-2-(trifluoromethoxy)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-7-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,6-naphthyridin-2-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 157601092
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-benzylpyrazol-4-yl)-6-fluoroquinoline-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(5-methyl-2-pyridinyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 157608478
(2,3-difluoro-4-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2,6-difluoro-3-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;3-fluoro-4-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[5-fluoro-2-(trifluoromethoxy)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-7-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
CID 157623645
4-[[3-[4-(1H-imidazo[4,5-b]pyridin-5-yl)piperazine-1-carbonyl]-4-methoxyphenyl]methyl]-2H-phthalazin-1-one;4-[[3-[4-(1H-imidazo[4,5-b]pyridin-5-yl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[3-[4-(1H-imidazo[4,5-b]pyridin-5-yl)piperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[3-[4-(2H-triazolo[4,5-b]pyridin-5-yl)piperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]methyl]-2H-phthalazin-1-one
CID 157781555
N-[(1S)-1-[8-[1-(cyanomethyl)pyrazol-4-yl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(5-fluoro-2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157981914
2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 158072187
5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
CID 158080438
(2,6-difluoro-3-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-fluoro-4-methoxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-fluoro-2-(trifluoromethoxy)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-7-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,6-naphthyridin-2-yl)methanone
CID 158476729

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one (CID 159753794) is 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one is CCN(CC)C(=O)c1cnc2n[nH]c(-c3nc4ccccc4[nH]3)c2c1.CCNC(=O)c1cncc(-c2cnc3n[nH]c(-c4nc5ccccc5[nH]4)c3c2)c1.CN(C)C(=O)c1cnc2n[nH]c(-c3nc4ccccc4[nH]3)c2c1.COc1ccccc1-c1ccc2c(-c3nc4ccccc4[nH]3)[nH]nc2n1.O=C1NCCc2nc3n[nH]c(-c4nc5ccccc5[nH]4)c3cc21.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one?
The InChIKey is NDZKBUHEADDUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O.C20H15N5O.C18H18N6O.C16H12N6O.C16H14N6O/c1-2-23-21(29)14-7-12(9-22-10-14)13-8-15-18(27-28-19(15)24-11-13)20-25-16-5-3-4-6-17(16)26-20;1-26-17-9-5-2-6-12(17)14-11-10-13-18(24-25-19(13)21-14)20-22-15-7-3-4-8-16(15)23-20;1-3-24(4-2)18(25)11-9-12-15(22-23-16(12)19-10-11)17-20-13-7-5-6-8-14(13)21-17;23-16-8-7-9-13(15-19-11-3-1-2-4-12(11)20-15)21-22-14(9)18-10(8)5-6-17-16;1-22(2)16(23)9-7-10-13(20-21-14(10)17-8-9)15-18-11-5-3-4-6-12(11)19-15/h3-11H,2H2,1H3,(H,23,29)(H,25,26)(H,24,27,28);2-11H,1H3,(H,22,23)(H,21,24,25);5-10H,3-4H2,1-2H3,(H,20,21)(H,19,22,23);1-4,7H,5-6H2,(H,17,23)(H,19,20)(H,18,21,22);3-8H,1-2H3,(H,18,19)(H,17,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one?
3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one has a molecular weight of 1669.81 g/mol, XLogP of 14.46, 14 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one is sourced from PubChem (CID 159753794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).