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

C190H159F11N62O7 — CID 159586356

IUPAC3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(F)(F)c1cnc(NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)c(C(=O)Nc2ccc(F)cc2)n1.Cc1cc(Cn2cnc3ccnc(NCc4ccc(-c5cnc6n[nH]c(N)c6c5)cc4)c3c2=O)ccc1F.Cc1cc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3ccn4ncnc(N)c34)cc2)ccc1F.Cc1cc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)nc2)ccc1F.Cc1cc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4n3)cc2)ccc1F.Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)nc1.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1F
InChIInChI=1S/2C28H24FN9O.C28H23FN8O.2C27H23FN10O.2C26H21F3N8O/c1-15-3-6-19(9-22(15)29)16(2)37-28(39)24-27(33-12-20(10-30)38-24)32-11-17-4-7-18(8-5-17)21-13-34-26-23(21)25(31)35-14-36-26;1-16-11-20(7-8-23(16)29)17(2)36-28(39)24-27(33-14-21(12-30)37-24)32-13-18-3-5-19(6-4-18)22-9-10-38-25(22)26(31)34-15-35-38;1-16-10-18(4-7-22(16)29)14-37-15-34-23-8-9-31-27(24(23)28(37)38)32-12-17-2-5-19(6-3-17)20-11-21-25(30)35-36-26(21)33-13-20;1-14-7-17(4-5-21(14)28)15(2)35-27(39)23-26(34-13-19(9-29)36-23)32-11-16-3-6-22(31-10-16)18-8-20-24(30)37-38-25(20)33-12-18;1-14-9-18(7-8-20(14)28)15(2)34-27(39)23-25(32-12-19(10-29)35-23)31-11-16-3-5-17(6-4-16)21-13-33-26-22(36-21)24(30)37-38-26;1-14-2-7-21(31-10-14)35-25(38)20-9-18(26(27,28)29)13-34-23(20)32-11-15-3-5-16(6-4-15)17-8-19-22(30)36-37-24(19)33-12-17;1-26(28,29)20-13-33-24(21(35-20)25(38)34-18-8-6-17(27)7-9-18)31-11-14-2-4-15(5-3-14)16-10-19-22(30)36-37-23(19)32-12-16/h3-9,12-14,16H,11H2,1-2H3,(H,32,33)(H,37,39)(H3,31,34,35,36);3-11,14-15,17H,13H2,1-2H3,(H,32,33)(H,36,39)(H2,31,34,35);2-11,13,15H,12,14H2,1H3,(H,31,32)(H3,30,33,35,36);3-8,10,12-13,15H,11H2,1-2H3,(H,32,34)(H,35,39)(H3,30,33,37,38);3-9,12-13,15H,11H2,1-2H3,(H,31,32)(H,34,39)(H3,30,33,37,38);2-10,12-13H,11H2,1H3,(H,32,34)(H,31,35,38)(H3,30,33,36,37);2-10,12-13H,11H2,1H3,(H,31,33)(H,34,38)(H3,30,32,36,37)/t16-;17-;;2*15-;;/m00.00../s1
InChIKeyMJQXWRRNDXCYAC-MWTFVLDWSA-N
MW3631.77 g/mol
LogP30.96
Rot. Bonds47

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

3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 159586356) has the molecular formula C190H159F11N62O7 and a molecular weight of 3631.77 g/mol. Its IUPAC name is 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID159586356
Molecular FormulaC190H159F11N62O7
Molecular Weight3631.77 g/mol
Exact Mass3629.38
IUPAC Name3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(F)(F)c1cnc(NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)c(C(=O)Nc2ccc(F)cc2)n1.Cc1cc(Cn2cnc3ccnc(NCc4ccc(-c5cnc6n[nH]c(N)c6c5)cc4)c3c2=O)ccc1F.Cc1cc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3ccn4ncnc(N)c34)cc2)ccc1F.Cc1cc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)nc2)ccc1F.Cc1cc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4n3)cc2)ccc1F.Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)nc1.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1F
InChIInChI=1S/2C28H24FN9O.C28H23FN8O.2C27H23FN10O.2C26H21F3N8O/c1-15-3-6-19(9-22(15)29)16(2)37-28(39)24-27(33-12-20(10-30)38-24)32-11-17-4-7-18(8-5-17)21-13-34-26-23(21)25(31)35-14-36-26;1-16-11-20(7-8-23(16)29)17(2)36-28(39)24-27(33-14-21(12-30)37-24)32-13-18-3-5-19(6-4-18)22-9-10-38-25(22)26(31)34-15-35-38;1-16-10-18(4-7-22(16)29)14-37-15-34-23-8-9-31-27(24(23)28(37)38)32-12-17-2-5-19(6-3-17)20-11-21-25(30)35-36-26(21)33-13-20;1-14-7-17(4-5-21(14)28)15(2)35-27(39)23-26(34-13-19(9-29)36-23)32-11-16-3-6-22(31-10-16)18-8-20-24(30)37-38-25(20)33-12-18;1-14-9-18(7-8-20(14)28)15(2)34-27(39)23-25(32-12-19(10-29)35-23)31-11-16-3-5-17(6-4-16)21-13-33-26-22(36-21)24(30)37-38-26;1-14-2-7-21(31-10-14)35-25(38)20-9-18(26(27,28)29)13-34-23(20)32-11-15-3-5-16(6-4-15)17-8-19-22(30)36-37-24(19)33-12-17;1-26(28,29)20-13-33-24(21(35-20)25(38)34-18-8-6-17(27)7-9-18)31-11-14-2-4-15(5-3-14)16-10-19-22(30)36-37-23(19)32-12-16/h3-9,12-14,16H,11H2,1-2H3,(H,32,33)(H,37,39)(H3,31,34,35,36);3-11,14-15,17H,13H2,1-2H3,(H,32,33)(H,36,39)(H2,31,34,35);2-11,13,15H,12,14H2,1H3,(H,31,32)(H3,30,33,35,36);3-8,10,12-13,15H,11H2,1-2H3,(H,32,34)(H,35,39)(H3,30,33,37,38);3-9,12-13,15H,11H2,1-2H3,(H,31,32)(H,34,39)(H3,30,33,37,38);2-10,12-13H,11H2,1H3,(H,32,34)(H,31,35,38)(H3,30,33,36,37);2-10,12-13H,11H2,1H3,(H,31,33)(H,34,38)(H3,30,32,36,37)/t16-;17-;;2*15-;;/m00.00../s1
InChIKeyMJQXWRRNDXCYAC-MWTFVLDWSA-N
XLogP30.96
TPSA1043.96 Ų
H-Bond Donors26
H-Bond Acceptors57
Rotatable Bonds47
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003631.77
LogP ≤ 530.96
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1057

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

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Launch Full Analysis

Related Compounds

3-[[4-(5-amino-6-carbamimidoylpyrazin-2-yl)phenyl]methylamino]-6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 145300822
2-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 67086251
2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-4-oxopyrido[4,3-d]pyrimidine-8-carbonitrile;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-cyano-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide
CID 157423692
2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-cyano-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 52931830
6-cyano-N-[1-(4-fluorophenyl)ethyl]-3-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyrazine-2-carboxamide
CID 77458574
2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 88852307
2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 121316901
2-[[5-(4-amino-7H-cyclopenta[d]pyrimidin-5-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157109777
5-cyano-2-[[4-[5-[3-(dimethylamino)propylamino]pyrazin-2-yl]phenyl]methylamino]-N-[1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 77223682
2-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]anilino]-5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 138520115
2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-5-cyano-N-(4-fluorophenyl)-5-(trifluoromethyl)-2H-pyridine-3-carboxamide
CID 122688020
2-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-iodopyridine-3-carboxamide
CID 67086567

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide (CID 159586356) is 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide is CC(F)(F)c1cnc(NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)c(C(=O)Nc2ccc(F)cc2)n1.Cc1cc(Cn2cnc3ccnc(NCc4ccc(-c5cnc6n[nH]c(N)c6c5)cc4)c3c2=O)ccc1F.Cc1cc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3ccn4ncnc(N)c34)cc2)ccc1F.Cc1cc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)nc2)ccc1F.Cc1cc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4n3)cc2)ccc1F.Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3cnc4n[nH]c(N)c4c3)cc2)nc1.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3c[nH]c4ncnc(N)c34)cc2)cc1F.
What is the InChIKey of 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is MJQXWRRNDXCYAC-MWTFVLDWSA-N. The full InChI is InChI=1S/2C28H24FN9O.C28H23FN8O.2C27H23FN10O.2C26H21F3N8O/c1-15-3-6-19(9-22(15)29)16(2)37-28(39)24-27(33-12-20(10-30)38-24)32-11-17-4-7-18(8-5-17)21-13-34-26-23(21)25(31)35-14-36-26;1-16-11-20(7-8-23(16)29)17(2)36-28(39)24-27(33-14-21(12-30)37-24)32-13-18-3-5-19(6-4-18)22-9-10-38-25(22)26(31)34-15-35-38;1-16-10-18(4-7-22(16)29)14-37-15-34-23-8-9-31-27(24(23)28(37)38)32-12-17-2-5-19(6-3-17)20-11-21-25(30)35-36-26(21)33-13-20;1-14-7-17(4-5-21(14)28)15(2)35-27(39)23-26(34-13-19(9-29)36-23)32-11-16-3-6-22(31-10-16)18-8-20-24(30)37-38-25(20)33-12-18;1-14-9-18(7-8-20(14)28)15(2)34-27(39)23-25(32-12-19(10-29)35-23)31-11-16-3-5-17(6-4-16)21-13-33-26-22(36-21)24(30)37-38-26;1-14-2-7-21(31-10-14)35-25(38)20-9-18(26(27,28)29)13-34-23(20)32-11-15-3-5-16(6-4-15)17-8-19-22(30)36-37-24(19)33-12-17;1-26(28,29)20-13-33-24(21(35-20)25(38)34-18-8-6-17(27)7-9-18)31-11-14-2-4-15(5-3-14)16-10-19-22(30)36-37-23(19)32-12-16/h3-9,12-14,16H,11H2,1-2H3,(H,32,33)(H,37,39)(H3,31,34,35,36);3-11,14-15,17H,13H2,1-2H3,(H,32,33)(H,36,39)(H2,31,34,35);2-11,13,15H,12,14H2,1H3,(H,31,32)(H3,30,33,35,36);3-8,10,12-13,15H,11H2,1-2H3,(H,32,34)(H,35,39)(H3,30,33,37,38);3-9,12-13,15H,11H2,1-2H3,(H,31,32)(H,34,39)(H3,30,33,37,38);2-10,12-13H,11H2,1H3,(H,32,34)(H,31,35,38)(H3,30,33,36,37);2-10,12-13H,11H2,1H3,(H,31,33)(H,34,38)(H3,30,32,36,37)/t16-;17-;;2*15-;;/m00.00../s1.
What are the key properties of 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide?
3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 3631.77 g/mol, XLogP of 30.96, 47 rotatable bonds, 26 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;5-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-3-[(4-fluoro-3-methylphenyl)methyl]pyrido[4,3-d]pyrimidin-4-one;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 159586356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).