2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide

C239H207F5N52O10S7 — CID 157395108

IUPAC2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide
SMILESCCOc1cnc(NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)c(C(=O)NCc2ccc(C)c(F)c2)c1.Cc1cc([C@H](C)NC(=O)c2cn(-c3ccccn3)nc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)ccc1F.Cc1ccc(CN2CCc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3C2=O)cc1F.Cc1ccc(CNC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NC/C=C/c2ccc3c(c2)CC(=O)/C3=C\C2=CN=CC2)cc1.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1F.Cc1ccc([C@H](C)n2cnc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3c2=O)cc1
InChIInChI=1S/C33H29N5O2.C31H27FN8OS.C31H27FN6OS.C29H27FN6O2S.C29H25FN6OS.2C29H25N7OS.C28H22FN7OS/c1-21-5-8-26(9-6-21)22(2)38-33(40)30-16-25(18-34)20-37-32(30)36-12-3-4-23-7-10-28-27(14-23)17-31(39)29(28)15-24-11-13-35-19-24;1-18-13-20(6-9-25(18)32)19(2)38-31(41)24-16-40(28-5-3-4-12-34-28)39-30(24)35-15-22-8-11-27(42-22)21-7-10-26-23(14-21)29(33)37-17-36-26;1-18-6-7-20(14-25(18)32)19(2)37-31(39)23-5-4-12-33-30(23)35-15-22-9-11-28(40-22)21-8-10-26-24(13-21)29-27(16-34-26)36-17-38(29)3;1-3-38-20-12-23(29(37)34-13-18-5-4-17(2)24(30)10-18)28(32-14-20)33-15-21-7-9-26(39-21)19-6-8-25-22(11-19)27(31)36-16-35-25;1-17-2-3-18(12-23(17)30)15-36-11-9-19-8-10-32-28(26(19)29(36)37)33-14-21-5-7-25(38-21)20-4-6-24-22(13-20)27(31)35-16-34-24;1-17-3-5-19(6-4-17)18(2)36-16-35-24-11-12-31-28(26(24)29(36)37)32-14-21-8-10-25(38-21)20-7-9-23-22(13-20)27(30)34-15-33-23;1-17-3-5-20(6-4-17)18(2)36-29(37)24-11-19(13-30)14-32-28(24)33-15-22-8-10-26(38-22)21-7-9-25-23(12-21)27(31)35-16-34-25;1-16-2-3-17(9-23(16)29)12-34-28(37)22-8-18(11-30)13-32-27(22)33-14-20-5-7-25(38-20)19-4-6-24-21(10-19)26(31)36-15-35-24/h3-10,13-16,19-20,22H,11-12,17H2,1-2H3,(H,36,37)(H,38,40);3-14,16-17,19H,15H2,1-2H3,(H,35,39)(H,38,41)(H2,33,36,37);4-14,16-17,19H,15H2,1-3H3,(H,33,35)(H,37,39);4-12,14,16H,3,13,15H2,1-2H3,(H,32,33)(H,34,37)(H2,31,35,36);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H,32,33)(H2,31,34,35);3-13,15-16,18H,14H2,1-2H3,(H,31,32)(H2,30,33,34);3-12,14,16,18H,15H2,1-2H3,(H,32,33)(H,36,37)(H2,31,34,35);2-10,13,15H,12,14H2,1H3,(H,32,33)(H,34,37)(H2,31,35,36)/b4-3+,29-15-;;;;;;;/t22-;2*19-;;;2*18-;/m000..00./s1
InChIKeyBMMALFHTNYPQCH-YVLJDLRUSA-N
MW4287.10 g/mol
LogP46.32
Rot. Bonds58

About 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide

2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide (PubChem CID 157395108) has the molecular formula C239H207F5N52O10S7 and a molecular weight of 4287.10 g/mol. Its IUPAC name is 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide
PubChem CID157395108
Molecular FormulaC239H207F5N52O10S7
Molecular Weight4287.10 g/mol
Exact Mass4283.53
IUPAC Name2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide
SMILESCCOc1cnc(NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)c(C(=O)NCc2ccc(C)c(F)c2)c1.Cc1cc([C@H](C)NC(=O)c2cn(-c3ccccn3)nc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)ccc1F.Cc1ccc(CN2CCc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3C2=O)cc1F.Cc1ccc(CNC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NC/C=C/c2ccc3c(c2)CC(=O)/C3=C\C2=CN=CC2)cc1.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1F.Cc1ccc([C@H](C)n2cnc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3c2=O)cc1
InChIInChI=1S/C33H29N5O2.C31H27FN8OS.C31H27FN6OS.C29H27FN6O2S.C29H25FN6OS.2C29H25N7OS.C28H22FN7OS/c1-21-5-8-26(9-6-21)22(2)38-33(40)30-16-25(18-34)20-37-32(30)36-12-3-4-23-7-10-28-27(14-23)17-31(39)29(28)15-24-11-13-35-19-24;1-18-13-20(6-9-25(18)32)19(2)38-31(41)24-16-40(28-5-3-4-12-34-28)39-30(24)35-15-22-8-11-27(42-22)21-7-10-26-23(14-21)29(33)37-17-36-26;1-18-6-7-20(14-25(18)32)19(2)37-31(39)23-5-4-12-33-30(23)35-15-22-9-11-28(40-22)21-8-10-26-24(13-21)29-27(16-34-26)36-17-38(29)3;1-3-38-20-12-23(29(37)34-13-18-5-4-17(2)24(30)10-18)28(32-14-20)33-15-21-7-9-26(39-21)19-6-8-25-22(11-19)27(31)36-16-35-25;1-17-2-3-18(12-23(17)30)15-36-11-9-19-8-10-32-28(26(19)29(36)37)33-14-21-5-7-25(38-21)20-4-6-24-22(13-20)27(31)35-16-34-24;1-17-3-5-19(6-4-17)18(2)36-16-35-24-11-12-31-28(26(24)29(36)37)32-14-21-8-10-25(38-21)20-7-9-23-22(13-20)27(30)34-15-33-23;1-17-3-5-20(6-4-17)18(2)36-29(37)24-11-19(13-30)14-32-28(24)33-15-22-8-10-26(38-22)21-7-9-25-23(12-21)27(31)35-16-34-25;1-16-2-3-17(9-23(16)29)12-34-28(37)22-8-18(11-30)13-32-27(22)33-14-20-5-7-25(38-20)19-4-6-24-21(10-19)26(31)36-15-35-24/h3-10,13-16,19-20,22H,11-12,17H2,1-2H3,(H,36,37)(H,38,40);3-14,16-17,19H,15H2,1-2H3,(H,35,39)(H,38,41)(H2,33,36,37);4-14,16-17,19H,15H2,1-3H3,(H,33,35)(H,37,39);4-12,14,16H,3,13,15H2,1-2H3,(H,32,33)(H,34,37)(H2,31,35,36);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H,32,33)(H2,31,34,35);3-13,15-16,18H,14H2,1-2H3,(H,31,32)(H2,30,33,34);3-12,14,16,18H,15H2,1-2H3,(H,32,33)(H,36,37)(H2,31,34,35);2-10,13,15H,12,14H2,1H3,(H,32,33)(H,34,37)(H2,31,35,36)/b4-3+,29-15-;;;;;;;/t22-;2*19-;;;2*18-;/m000..00./s1
InChIKeyBMMALFHTNYPQCH-YVLJDLRUSA-N
XLogP46.32
TPSA898.52 Ų
H-Bond Donors20
H-Bond Acceptors62
Rotatable Bonds58
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004287.10
LogP ≤ 546.32
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1062

Analyze 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide (CID 157395108) is 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide is CCOc1cnc(NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)c(C(=O)NCc2ccc(C)c(F)c2)c1.Cc1cc([C@H](C)NC(=O)c2cn(-c3ccccn3)nc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)ccc1F.Cc1ccc(CN2CCc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3C2=O)cc1F.Cc1ccc(CNC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NC/C=C/c2ccc3c(c2)CC(=O)/C3=C\C2=CN=CC2)cc1.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1F.Cc1ccc([C@H](C)n2cnc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3c2=O)cc1.
What is the InChIKey of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide?
The InChIKey is BMMALFHTNYPQCH-YVLJDLRUSA-N. The full InChI is InChI=1S/C33H29N5O2.C31H27FN8OS.C31H27FN6OS.C29H27FN6O2S.C29H25FN6OS.2C29H25N7OS.C28H22FN7OS/c1-21-5-8-26(9-6-21)22(2)38-33(40)30-16-25(18-34)20-37-32(30)36-12-3-4-23-7-10-28-27(14-23)17-31(39)29(28)15-24-11-13-35-19-24;1-18-13-20(6-9-25(18)32)19(2)38-31(41)24-16-40(28-5-3-4-12-34-28)39-30(24)35-15-22-8-11-27(42-22)21-7-10-26-23(14-21)29(33)37-17-36-26;1-18-6-7-20(14-25(18)32)19(2)37-31(39)23-5-4-12-33-30(23)35-15-22-9-11-28(40-22)21-8-10-26-24(13-21)29-27(16-34-26)36-17-38(29)3;1-3-38-20-12-23(29(37)34-13-18-5-4-17(2)24(30)10-18)28(32-14-20)33-15-21-7-9-26(39-21)19-6-8-25-22(11-19)27(31)36-16-35-25;1-17-2-3-18(12-23(17)30)15-36-11-9-19-8-10-32-28(26(19)29(36)37)33-14-21-5-7-25(38-21)20-4-6-24-22(13-20)27(31)35-16-34-24;1-17-3-5-19(6-4-17)18(2)36-16-35-24-11-12-31-28(26(24)29(36)37)32-14-21-8-10-25(38-21)20-7-9-23-22(13-20)27(30)34-15-33-23;1-17-3-5-20(6-4-17)18(2)36-29(37)24-11-19(13-30)14-32-28(24)33-15-22-8-10-26(38-22)21-7-9-25-23(12-21)27(31)35-16-34-25;1-16-2-3-17(9-23(16)29)12-34-28(37)22-8-18(11-30)13-32-27(22)33-14-20-5-7-25(38-20)19-4-6-24-21(10-19)26(31)36-15-35-24/h3-10,13-16,19-20,22H,11-12,17H2,1-2H3,(H,36,37)(H,38,40);3-14,16-17,19H,15H2,1-2H3,(H,35,39)(H,38,41)(H2,33,36,37);4-14,16-17,19H,15H2,1-3H3,(H,33,35)(H,37,39);4-12,14,16H,3,13,15H2,1-2H3,(H,32,33)(H,34,37)(H2,31,35,36);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H,32,33)(H2,31,34,35);3-13,15-16,18H,14H2,1-2H3,(H,31,32)(H2,30,33,34);3-12,14,16,18H,15H2,1-2H3,(H,32,33)(H,36,37)(H2,31,34,35);2-10,13,15H,12,14H2,1H3,(H,32,33)(H,34,37)(H2,31,35,36)/b4-3+,29-15-;;;;;;;/t22-;2*19-;;;2*18-;/m000..00./s1.
What are the key properties of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide?
2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide has a molecular weight of 4287.10 g/mol, XLogP of 46.32, 58 rotatable bonds, 20 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 157395108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).