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

C143H129F6N41O5 — CID 157291192

IUPAC2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)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)c2cc(C#N)cnc2NCc2ccc(-c3cnc(N)c(CCCN)n3)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)cc1F.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)cc1F
InChIInChI=1S/C30H32N8O.C29H26FN9O.C29H25FN8O.C28H24FN9O.C27H22F3N7O/c1-19-5-9-23(10-6-19)20(2)37-30(39)25-14-22(15-32)17-36-29(25)35-16-21-7-11-24(12-8-21)27-18-34-28(33)26(38-27)4-3-13-31;1-16-4-7-20(10-23(16)30)17(2)37-29(40)25-27(34-13-21(11-31)38-25)33-12-18-5-8-19(9-6-18)22-14-39(3)28-24(22)26(32)35-15-36-28;1-16-3-5-19(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;1-15-3-6-19(10-23(15)29)16(2)35-28(39)24-27(34-14-21(11-30)36-24)32-12-17-4-7-18(8-5-17)20-9-22-25(31)37-38-26(22)33-13-20;1-15-2-8-19(9-3-15)37-26(38)20-10-18(27(28,29)30)12-33-24(20)32-11-16-4-6-17(7-5-16)21-13-34-25-22(21)23(31)35-14-36-25/h5-12,14,17-18,20H,3-4,13,16,31H2,1-2H3,(H2,33,34)(H,35,36)(H,37,39);4-10,13-15,17H,12H2,1-3H3,(H,33,34)(H,37,40)(H2,32,35,36);3-10,12,14-15,17H,13H2,1-2H3,(H,33,34)(H,38,39)(H3,32,35,36,37);3-10,13-14,16H,12H2,1-2H3,(H,32,34)(H,35,39)(H3,31,33,37,38);2-10,12-14H,11H2,1H3,(H,32,33)(H,37,38)(H3,31,34,35,36)/t20-;2*17-;16-;/m0000./s1
InChIKeyBAUZPPGNHQLQAV-DPVFSTBASA-N
MW2615.87 g/mol
LogP23.96
Rot. Bonds37

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

2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 157291192) has the molecular formula C143H129F6N41O5 and a molecular weight of 2615.87 g/mol. Its IUPAC name is 2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID157291192
Molecular FormulaC143H129F6N41O5
Molecular Weight2615.87 g/mol
Exact Mass2614.10
IUPAC Name2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)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)c2cc(C#N)cnc2NCc2ccc(-c3cnc(N)c(CCCN)n3)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)cc1F.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)cc1F
InChIInChI=1S/C30H32N8O.C29H26FN9O.C29H25FN8O.C28H24FN9O.C27H22F3N7O/c1-19-5-9-23(10-6-19)20(2)37-30(39)25-14-22(15-32)17-36-29(25)35-16-21-7-11-24(12-8-21)27-18-34-28(33)26(38-27)4-3-13-31;1-16-4-7-20(10-23(16)30)17(2)37-29(40)25-27(34-13-21(11-31)38-25)33-12-18-5-8-19(9-6-18)22-14-39(3)28-24(22)26(32)35-15-36-28;1-16-3-5-19(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;1-15-3-6-19(10-23(15)29)16(2)35-28(39)24-27(34-14-21(11-30)36-24)32-12-17-4-7-18(8-5-17)20-9-22-25(31)37-38-26(22)33-13-20;1-15-2-8-19(9-3-15)37-26(38)20-10-18(27(28,29)30)12-33-24(20)32-11-16-4-6-17(7-5-16)21-13-34-25-22(21)23(31)35-14-36-25/h5-12,14,17-18,20H,3-4,13,16,31H2,1-2H3,(H2,33,34)(H,35,36)(H,37,39);4-10,13-15,17H,12H2,1-3H3,(H,33,34)(H,37,40)(H2,32,35,36);3-10,12,14-15,17H,13H2,1-2H3,(H,33,34)(H,38,39)(H3,32,35,36,37);3-10,13-14,16H,12H2,1-2H3,(H,32,34)(H,35,39)(H3,31,33,37,38);2-10,12-14H,11H2,1H3,(H,32,33)(H,37,38)(H3,31,34,35,36)/t20-;2*17-;16-;/m0000./s1
InChIKeyBAUZPPGNHQLQAV-DPVFSTBASA-N
XLogP23.96
TPSA728.36 Ų
H-Bond Donors19
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002615.87
LogP ≤ 523.96
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1038

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

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Related Compounds

US10030016, Example 435
CID 68160745
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
1-[7-amino-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294893
2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 68161380
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
2-[1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]ethylamino]-5-cyano-N-[1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 77457119
2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-5-cyano-N-[1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 77457217
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-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide
CID 91231290
5-cyano-N-[1-(4-fluorophenyl)ethyl]-2-[[6-[7-[4,5,5-trimethyl-2-(1H-pyrazolo[5,4-b]pyridin-5-yl)-1,3,2-dioxaborolan-4-yl]-1H-pyrazolo[3,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]methylamino]pyridine-3-carboxamide
CID 123328368

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 157291192) is 2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)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)c2cc(C#N)cnc2NCc2ccc(-c3cnc(N)c(CCCN)n3)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)cc1F.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)cc1F.
What is the InChIKey of 2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BAUZPPGNHQLQAV-DPVFSTBASA-N. The full InChI is InChI=1S/C30H32N8O.C29H26FN9O.C29H25FN8O.C28H24FN9O.C27H22F3N7O/c1-19-5-9-23(10-6-19)20(2)37-30(39)25-14-22(15-32)17-36-29(25)35-16-21-7-11-24(12-8-21)27-18-34-28(33)26(38-27)4-3-13-31;1-16-4-7-20(10-23(16)30)17(2)37-29(40)25-27(34-13-21(11-31)38-25)33-12-18-5-8-19(9-6-18)22-14-39(3)28-24(22)26(32)35-15-36-28;1-16-3-5-19(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;1-15-3-6-19(10-23(15)29)16(2)35-28(39)24-27(34-14-21(11-30)36-24)32-12-17-4-7-18(8-5-17)20-9-22-25(31)37-38-26(22)33-13-20;1-15-2-8-19(9-3-15)37-26(38)20-10-18(27(28,29)30)12-33-24(20)32-11-16-4-6-17(7-5-16)21-13-34-25-22(21)23(31)35-14-36-25/h5-12,14,17-18,20H,3-4,13,16,31H2,1-2H3,(H2,33,34)(H,35,36)(H,37,39);4-10,13-15,17H,12H2,1-3H3,(H,33,34)(H,37,40)(H2,32,35,36);3-10,12,14-15,17H,13H2,1-2H3,(H,33,34)(H,38,39)(H3,32,35,36,37);3-10,13-14,16H,12H2,1-2H3,(H,32,34)(H,35,39)(H3,31,33,37,38);2-10,12-14H,11H2,1H3,(H,32,33)(H,37,38)(H3,31,34,35,36)/t20-;2*17-;16-;/m0000./s1.
What are the key properties of 2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 2615.87 g/mol, XLogP of 23.96, 37 rotatable bonds, 19 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 157291192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).