2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide

C137H115F8N41O5 — CID 158639068

IUPAC2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)cc1F.Cc1ccc(NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2F)cc1.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)cc1.Cn1cc(-c2ccc(CNc3ncc(C(C)(F)F)cc3C(=O)Nc3ccc(F)cc3)cn2)c2c(N)ncnc21
InChIInChI=1S/C29H25FN8O.C28H25N9O.C27H21F4N7O.C27H23F3N8O.C26H21N9O/c1-16-3-5-19(6-4-16)17(2)38-29(39)22-9-18(11-31)12-33-27(22)34-13-21-8-7-20(10-24(21)30)23-14-35-28-25(23)26(32)36-15-37-28;1-16-3-7-19(8-4-16)17(2)34-28(38)24-27(33-15-22(12-29)35-24)31-13-18-5-9-20(10-6-18)21-11-23-25(30)36-37-26(23)32-14-21;1-14-2-7-19(10-22(14)28)36-26(39)21-9-18(27(29,30)31)13-35-24(21)33-11-15-3-5-16(6-4-15)17-8-20-23(32)37-38-25(20)34-12-17;1-27(29,30)16-9-19(26(39)37-18-6-4-17(28)5-7-18)24(34-12-16)33-11-15-3-8-21(32-10-15)20-13-38(2)25-22(20)23(31)35-14-36-25;1-15-2-8-18(9-3-15)35-26(36)22-25(30-12-19(10-27)34-22)29-11-16-4-6-17(7-5-16)20-13-31-24-21(20)23(28)32-14-33-24/h3-10,12,14-15,17H,13H2,1-2H3,(H,33,34)(H,38,39)(H3,32,35,36,37);3-11,14-15,17H,13H2,1-2H3,(H,31,33)(H,34,38)(H3,30,32,36,37);2-10,12-13H,11H2,1H3,(H,33,35)(H,36,39)(H3,32,34,37,38);3-10,12-14H,11H2,1-2H3,(H,33,34)(H,37,39)(H2,31,35,36);2-9,12-14H,11H2,1H3,(H,29,30)(H,35,36)(H3,28,31,32,33)/t2*17-;;;/m00.../s1
InChIKeyIADJTXYBEIYDAI-KNYHXMEGSA-N
MW2567.69 g/mol
LogP24.40
Rot. Bonds33

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

2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 158639068) has the molecular formula C137H115F8N41O5 and a molecular weight of 2567.69 g/mol. Its IUPAC name is 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID158639068
Molecular FormulaC137H115F8N41O5
Molecular Weight2567.69 g/mol
Exact Mass2565.99
IUPAC Name2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)cc1F.Cc1ccc(NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2F)cc1.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)cc1.Cn1cc(-c2ccc(CNc3ncc(C(C)(F)F)cc3C(=O)Nc3ccc(F)cc3)cn2)c2c(N)ncnc21
InChIInChI=1S/C29H25FN8O.C28H25N9O.C27H21F4N7O.C27H23F3N8O.C26H21N9O/c1-16-3-5-19(6-4-16)17(2)38-29(39)22-9-18(11-31)12-33-27(22)34-13-21-8-7-20(10-24(21)30)23-14-35-28-25(23)26(32)36-15-37-28;1-16-3-7-19(8-4-16)17(2)34-28(38)24-27(33-15-22(12-29)35-24)31-13-18-5-9-20(10-6-18)21-11-23-25(30)36-37-26(23)32-14-21;1-14-2-7-19(10-22(14)28)36-26(39)21-9-18(27(29,30)31)13-35-24(21)33-11-15-3-5-16(6-4-15)17-8-20-23(32)37-38-25(20)34-12-17;1-27(29,30)16-9-19(26(39)37-18-6-4-17(28)5-7-18)24(34-12-16)33-11-15-3-8-21(32-10-15)20-13-38(2)25-22(20)23(31)35-14-36-25;1-15-2-8-18(9-3-15)35-26(36)22-25(30-12-19(10-27)34-22)29-11-16-4-6-17(7-5-16)20-13-31-24-21(20)23(28)32-14-33-24/h3-10,12,14-15,17H,13H2,1-2H3,(H,33,34)(H,38,39)(H3,32,35,36,37);3-11,14-15,17H,13H2,1-2H3,(H,31,33)(H,34,38)(H3,30,32,36,37);2-10,12-13H,11H2,1H3,(H,33,35)(H,36,39)(H3,32,34,37,38);3-10,12-14H,11H2,1-2H3,(H,33,34)(H,37,39)(H2,31,35,36);2-9,12-14H,11H2,1H3,(H,29,30)(H,35,36)(H3,28,31,32,33)/t2*17-;;;/m00.../s1
InChIKeyIADJTXYBEIYDAI-KNYHXMEGSA-N
XLogP24.40
TPSA707.23 Ų
H-Bond Donors19
H-Bond Acceptors37
Rotatable Bonds33
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002567.69
LogP ≤ 524.40
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1037

Analyze 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide with MolForge

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Related Compounds

US10030016, Example 37
CID 68161567
5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172442557
5-[4-[4-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172468396
3-[[4-(3-benzamido-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 68161570
4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-[4-[2-(4-imidazol-1-ylanilino)pyrimidin-4-yl]pyrazol-1-yl]butanenitrile;3-[3-(dimethylamino)propylamino]-N-[6-methyl-5-(9H-pyrimido[4,5-b]indol-7-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 89905037
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
(2S,5R)-5-[[4-[3-fluoro-4-[(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2-yl)methyl]phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N,N,2-trimethylpiperidine-1-carboxamide
CID 135204518
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[6-[4-[5-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carbonyl]amino]pyridazin-4-yl]piperazin-1-yl]-3-(trifluoromethyl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137387422
[6-[5-[4-[1-[2-[[2-[2-(3,3-difluoroazetidine-1-carbonyl)imidazo[1,2-a]pyridin-7-yl]pyrimidin-4-yl]amino]-5-(1H-pyrazol-4-yl)phenyl]pyrazol-4-yl]anilino]-1,2,4-triazin-3-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 137387443
6-[4-[[2-[6-(1H-indazol-5-ylamino)-2-[2-[[3-(trifluoromethyl)pyridin-4-yl]carbamoyl]-1H-indol-6-yl]pyrimidin-4-yl]-6-(1H-pyrazol-4-yl)pyridin-3-yl]amino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 137387712
6-[4-[2-[6-(1H-indazol-5-ylamino)-2-[2-(pyridin-4-ylcarbamoyl)-2,3-dihydro-1H-indol-6-yl]pyrimidin-4-yl]-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 137387849
3-[[4-[4-amino-2-[[5-[4-[[[3-[(4-fluorophenyl)carbamoyl]-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methylamino]-6-cyano-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 137419659

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 158639068) is 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)cc1F.Cc1ccc(NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2F)cc1.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)cc1.Cn1cc(-c2ccc(CNc3ncc(C(C)(F)F)cc3C(=O)Nc3ccc(F)cc3)cn2)c2c(N)ncnc21.
What is the InChIKey of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is IADJTXYBEIYDAI-KNYHXMEGSA-N. The full InChI is InChI=1S/C29H25FN8O.C28H25N9O.C27H21F4N7O.C27H23F3N8O.C26H21N9O/c1-16-3-5-19(6-4-16)17(2)38-29(39)22-9-18(11-31)12-33-27(22)34-13-21-8-7-20(10-24(21)30)23-14-35-28-25(23)26(32)36-15-37-28;1-16-3-7-19(8-4-16)17(2)34-28(38)24-27(33-15-22(12-29)35-24)31-13-18-5-9-20(10-6-18)21-11-23-25(30)36-37-26(23)32-14-21;1-14-2-7-19(10-22(14)28)36-26(39)21-9-18(27(29,30)31)13-35-24(21)33-11-15-3-5-16(6-4-15)17-8-20-23(32)37-38-25(20)34-12-17;1-27(29,30)16-9-19(26(39)37-18-6-4-17(28)5-7-18)24(34-12-16)33-11-15-3-8-21(32-10-15)20-13-38(2)25-22(20)23(31)35-14-36-25;1-15-2-8-18(9-3-15)35-26(36)22-25(30-12-19(10-27)34-22)29-11-16-4-6-17(7-5-16)20-13-31-24-21(20)23(28)32-14-33-24/h3-10,12,14-15,17H,13H2,1-2H3,(H,33,34)(H,38,39)(H3,32,35,36,37);3-11,14-15,17H,13H2,1-2H3,(H,31,33)(H,34,38)(H3,30,32,36,37);2-10,12-13H,11H2,1H3,(H,33,35)(H,36,39)(H3,32,34,37,38);3-10,12-14H,11H2,1-2H3,(H,33,34)(H,37,39)(H2,31,35,36);2-9,12-14H,11H2,1H3,(H,29,30)(H,35,36)(H3,28,31,32,33)/t2*17-;;;/m00.../s1.
What are the key properties of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide?
2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 2567.69 g/mol, XLogP of 24.40, 33 rotatable bonds, 19 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 158639068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).