2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide

C112H95F6N29O5 — CID 159847965

About 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide

2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 159847965) has the molecular formula C112H95F6N29O5 and a molecular weight of 2041.18 g/mol. Its IUPAC name is 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide
• PubChem CID: 159847965
• Molecular Formula: C112H95F6N29O5
• Molecular Weight: 2041.18 g/mol
• Exact Mass: 2039.80
• IUPAC Name: 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide
• SMILES: CC(F)(F)c1cnc(NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)c(C(=O)Nc2ccc(F)cc2)c1.CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(C#N)cnc1NCc1ccc(-c2cnc3n[nH]c(N)c3c2)cc1.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3cnc4[nH]c(=O)[nH]c4c3)cc2)cc1F
• InChI: InChI=1S/C29H26N8O.C28H22F2N8O.C28H25FN6O2.C27H22F3N7O/c1-17-3-7-21(8-4-17)18(2)37-29(38)23-11-20(12-30)14-33-27(23)32-13-19-5-9-22(10-6-19)24-15-34-28-25(24)26(31)35-16-36-28;1-38(15-17-4-7-23(29)24(30)9-17)28(39)22-8-18(11-31)13-34-26(22)33-12-16-2-5-19(6-3-16)20-10-21-25(32)36-37-27(21)35-14-20;1-16-5-8-20(12-23(16)29)17(2)33-27(36)22-4-3-11-30-25(22)31-14-18-6-9-19(10-7-18)21-13-24-26(32-15-21)35-28(37)34-24;1-27(29,30)18-11-22(26(38)35-20-8-6-19(28)7-9-20)24(34-14-18)32-12-15-2-4-16(5-3-15)17-10-21-23(31)36-37-25(21)33-13-17/h3-11,14-16,18H,13H2,1-2H3,(H,32,33)(H,37,38)(H3,31,34,35,36);2-10,13-14H,12,15H2,1H3,(H,33,34)(H3,32,35,36,37);3-13,15,17H,14H2,1-2H3,(H,30,31)(H,33,36)(H2,32,34,35,37);2-11,13-14H,12H2,1H3,(H,32,34)(H,35,38)(H3,31,33,36,37)/t18-;;17-;/m0.0./s1
• InChIKey: NPOCQBHGHCVONG-ZVBJOLPVSA-N
• XLogP: 20.10
• TPSA: 519.18 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2041.18
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide?

The IUPAC name of 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide (CID 159847965) is 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide.

What is the SMILES notation for 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide?

The canonical SMILES for 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide is CC(F)(F)c1cnc(NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)c(C(=O)Nc2ccc(F)cc2)c1.CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(C#N)cnc1NCc1ccc(-c2cnc3n[nH]c(N)c3c2)cc1.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3cnc4[nH]c(=O)[nH]c4c3)cc2)cc1F.

What is the InChIKey of 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide?

The InChIKey is NPOCQBHGHCVONG-ZVBJOLPVSA-N. The full InChI is InChI=1S/C29H26N8O.C28H22F2N8O.C28H25FN6O2.C27H22F3N7O/c1-17-3-7-21(8-4-17)18(2)37-29(38)23-11-20(12-30)14-33-27(23)32-13-19-5-9-22(10-6-19)24-15-34-28-25(24)26(31)35-16-36-28;1-38(15-17-4-7-23(29)24(30)9-17)28(39)22-8-18(11-31)13-34-26(22)33-12-16-2-5-19(6-3-16)20-10-21-25(32)36-37-27(21)35-14-20;1-16-5-8-20(12-23(16)29)17(2)33-27(36)22-4-3-11-30-25(22)31-14-18-6-9-19(10-7-18)21-13-24-26(32-15-21)35-28(37)34-24;1-27(29,30)18-11-22(26(38)35-20-8-6-19(28)7-9-20)24(34-14-18)32-12-15-2-4-16(5-3-15)17-10-21-23(31)36-37-25(21)33-13-17/h3-11,14-16,18H,13H2,1-2H3,(H,32,33)(H,37,38)(H3,31,34,35,36);2-10,13-14H,12,15H2,1H3,(H,33,34)(H3,32,35,36,37);3-13,15,17H,14H2,1-2H3,(H,30,31)(H,33,36)(H2,32,34,35,37);2-11,13-14H,12H2,1H3,(H,32,34)(H,35,38)(H3,31,33,36,37)/t18-;;17-;/m0.0./s1.

What are the key properties of 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide?

2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 2041.18 g/mol, XLogP of 20.10, 28 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 159847965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).