2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

C123H114N44O12S — CID 157100205

IUPAC2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CCN(C)CC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCN(C)CC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NS(C)(=O)=O)c5)cc34)nc12
InChIInChI=1S/C27H27N9O2.C26H26N10O2.C25H23N9O3.C24H20N8O2.C21H18N8O3S/c1-28-27(38)19-4-3-5-21-22(19)33-25(32-21)23-20-11-17(13-30-24(20)35-34-23)16-10-18(14-29-12-16)31-26(37)15-6-8-36(2)9-7-15;1-27-25(37)18-4-3-5-20-21(18)32-24(31-20)22-19-11-16(13-29-23(19)34-33-22)15-10-17(14-28-12-15)30-26(38)36-8-6-35(2)7-9-36;1-26-24(35)17-3-2-4-19-20(17)31-23(30-19)21-18-10-15(12-28-22(18)33-32-21)14-9-16(13-27-11-14)29-25(36)34-5-7-37-8-6-34;1-25-24(34)16-3-2-4-18-19(16)30-22(29-18)20-17-8-14(10-27-21(17)32-31-20)13-7-15(11-26-9-13)28-23(33)12-5-6-12;1-22-21(30)14-4-3-5-16-17(14)26-20(25-16)18-15-7-12(9-24-19(15)28-27-18)11-6-13(10-23-8-11)29-33(2,31)32/h3-5,10-15H,6-9H2,1-2H3,(H,28,38)(H,31,37)(H,32,33)(H,30,34,35);3-5,10-14H,6-9H2,1-2H3,(H,27,37)(H,30,38)(H,31,32)(H,29,33,34);2-4,9-13H,5-8H2,1H3,(H,26,35)(H,29,36)(H,30,31)(H,28,32,33);2-4,7-12H,5-6H2,1H3,(H,25,34)(H,28,33)(H,29,30)(H,27,31,32);3-10,29H,1-2H3,(H,22,30)(H,25,26)(H,24,27,28)
InChIKeyAFRFVANNKDFZLN-UHFFFAOYSA-N
MW2432.63 g/mol
LogP14.26
Rot. Bonds23

About 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 157100205) has the molecular formula C123H114N44O12S and a molecular weight of 2432.63 g/mol. Its IUPAC name is 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide
PubChem CID157100205
Molecular FormulaC123H114N44O12S
Molecular Weight2432.63 g/mol
Exact Mass2430.94
IUPAC Name2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CCN(C)CC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCN(C)CC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NS(C)(=O)=O)c5)cc34)nc12
InChIInChI=1S/C27H27N9O2.C26H26N10O2.C25H23N9O3.C24H20N8O2.C21H18N8O3S/c1-28-27(38)19-4-3-5-21-22(19)33-25(32-21)23-20-11-17(13-30-24(20)35-34-23)16-10-18(14-29-12-16)31-26(37)15-6-8-36(2)9-7-15;1-27-25(37)18-4-3-5-20-21(18)32-24(31-20)22-19-11-16(13-29-23(19)34-33-22)15-10-17(14-28-12-15)30-26(38)36-8-6-35(2)7-9-36;1-26-24(35)17-3-2-4-19-20(17)31-23(30-19)21-18-10-15(12-28-22(18)33-32-21)14-9-16(13-27-11-14)29-25(36)34-5-7-37-8-6-34;1-25-24(34)16-3-2-4-18-19(16)30-22(29-18)20-17-8-14(10-27-21(17)32-31-20)13-7-15(11-26-9-13)28-23(33)12-5-6-12;1-22-21(30)14-4-3-5-16-17(14)26-20(25-16)18-15-7-12(9-24-19(15)28-27-18)11-6-13(10-23-8-11)29-33(2,31)32/h3-5,10-15H,6-9H2,1-2H3,(H,28,38)(H,31,37)(H,32,33)(H,30,34,35);3-5,10-14H,6-9H2,1-2H3,(H,27,37)(H,30,38)(H,31,32)(H,29,33,34);2-4,9-13H,5-8H2,1H3,(H,26,35)(H,29,36)(H,30,31)(H,28,32,33);2-4,7-12H,5-6H2,1H3,(H,25,34)(H,28,33)(H,29,30)(H,27,31,32);3-10,29H,1-2H3,(H,22,30)(H,25,26)(H,24,27,28)
InChIKeyAFRFVANNKDFZLN-UHFFFAOYSA-N
XLogP14.26
TPSA745.96 Ų
H-Bond Donors20
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002432.63
LogP ≤ 514.26
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1034

Analyze 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[3-[4-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 145664821
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
CID 157192628
1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 157358624
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157470632
2-[4-[5-(tert-butylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[6-(methylcarbamoyl)pyridazin-3-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;isocyanic acid
CID 157545322
2-cyclobutyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;4-(3-fluoro-5-propan-2-yl-2-pyridinyl)morpholine;3-fluoro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(3-methyl-5-propan-2-yl-2-pyridinyl)morpholine;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-1,3-dihydroindol-2-one;1-(3-propan-2-ylindol-1-yl)ethanone;5-propan-2-yl-2-pyridazin-4-ylpyrimidine;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;4-(5-propan-2-ylpyrimidin-2-yl)-1H-pyridin-2-one;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157617411
1,3-dimethyl-N-[6-methyl-5-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)-3-pyridinyl]pyrazole-4-carboxamide;1-ethyl-3-methyl-N-[6-methyl-5-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)-3-pyridinyl]pyrazole-4-carboxamide;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(7-morpholin-4-yl-3H-benzimidazol-5-yl)-3-pyridinyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 157659753
2,6-difluoro-N-[5-[4-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;4-fluoro-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]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide
CID 157708135
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 157763554
CID 157944153
CID 157944153
1H-benzimidazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[2-(1,1-difluoroethyl)-3-fluorophenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;isoquinolin-8-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone
CID 158086590
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
CID 158135452

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide (CID 157100205) is 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide is CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CCN(C)CC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCN(C)CC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NS(C)(=O)=O)c5)cc34)nc12.
What is the InChIKey of 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is AFRFVANNKDFZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N9O2.C26H26N10O2.C25H23N9O3.C24H20N8O2.C21H18N8O3S/c1-28-27(38)19-4-3-5-21-22(19)33-25(32-21)23-20-11-17(13-30-24(20)35-34-23)16-10-18(14-29-12-16)31-26(37)15-6-8-36(2)9-7-15;1-27-25(37)18-4-3-5-20-21(18)32-24(31-20)22-19-11-16(13-29-23(19)34-33-22)15-10-17(14-28-12-15)30-26(38)36-8-6-35(2)7-9-36;1-26-24(35)17-3-2-4-19-20(17)31-23(30-19)21-18-10-15(12-28-22(18)33-32-21)14-9-16(13-27-11-14)29-25(36)34-5-7-37-8-6-34;1-25-24(34)16-3-2-4-18-19(16)30-22(29-18)20-17-8-14(10-27-21(17)32-31-20)13-7-15(11-26-9-13)28-23(33)12-5-6-12;1-22-21(30)14-4-3-5-16-17(14)26-20(25-16)18-15-7-12(9-24-19(15)28-27-18)11-6-13(10-23-8-11)29-33(2,31)32/h3-5,10-15H,6-9H2,1-2H3,(H,28,38)(H,31,37)(H,32,33)(H,30,34,35);3-5,10-14H,6-9H2,1-2H3,(H,27,37)(H,30,38)(H,31,32)(H,29,33,34);2-4,9-13H,5-8H2,1H3,(H,26,35)(H,29,36)(H,30,31)(H,28,32,33);2-4,7-12H,5-6H2,1H3,(H,25,34)(H,28,33)(H,29,30)(H,27,31,32);3-10,29H,1-2H3,(H,22,30)(H,25,26)(H,24,27,28).
What are the key properties of 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide?
2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 2432.63 g/mol, XLogP of 14.26, 23 rotatable bonds, 20 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 157100205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).