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

C179H148F7N39O7S4 — CID 157423692

IUPAC2-[[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
SMILESCc1cc(CNC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)ccc1F.Cc1cc(CNC(=O)c2cccnc2NC/C=C/c2ccc3c(c2)CC(=O)/C3=C\C2=CN=CC2)ccc1F.Cc1cc([C@H](C)n2cnc3c(C#N)cnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3c2=O)ccc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3cnc4[nH]ncc4c3)cc2)cc1
InChIInChI=1S/C32H27N7OS.C31H27FN4O2.C30H23FN8OS.C29H24FN7OS.C29H25N7O.C28H22F4N6OS/c1-19-4-6-22(7-5-19)20(2)38-32(40)26-12-21(14-33)15-35-31(26)36-16-24-9-11-29(41-24)23-8-10-27-25(13-23)30-28(17-34-27)37-18-39(30)3;1-20-14-22(7-9-28(20)32)19-36-31(38)26-5-3-12-35-30(26)34-11-2-4-21-6-8-25-24(15-21)17-29(37)27(25)16-23-10-13-33-18-23;1-16-9-18(3-6-23(16)31)17(2)39-15-38-27-20(11-32)12-34-29(26(27)30(39)40)35-13-21-5-8-25(41-21)19-4-7-24-22(10-19)28(33)37-14-36-24;1-16-3-4-19(11-24(16)30)17(2)37-29(38)23-9-18(12-31)13-33-28(23)34-14-21-6-8-26(39-21)20-5-7-25-22(10-20)27(32)36-15-35-25;1-18-3-7-22(8-4-18)19(2)35-29(37)26-11-21(13-30)15-32-28(26)31-14-20-5-9-23(10-6-20)24-12-25-17-34-36-27(25)33-16-24;1-15-8-16(2-5-22(15)29)11-36-27(39)21-10-18(28(30,31)32)12-34-26(21)35-13-19-4-7-24(40-19)17-3-6-23-20(9-17)25(33)38-14-37-23/h4-13,15,17-18,20H,16H2,1-3H3,(H,35,36)(H,38,40);2-9,12-16,18H,10-11,17,19H2,1H3,(H,34,35)(H,36,38);3-10,12,14-15,17H,13H2,1-2H3,(H,34,35)(H2,33,36,37);3-11,13,15,17H,14H2,1-2H3,(H,33,34)(H,37,38)(H2,32,35,36);3-12,15-17,19H,14H2,1-2H3,(H,31,32)(H,35,37)(H,33,34,36);2-10,12,14H,11,13H2,1H3,(H,34,35)(H,36,39)(H2,33,37,38)/b;4-2+,27-16-;;;;/t20-;;2*17-;19-;/m0.000./s1
InChIKeyBPSDSPZIWNKFJR-MGIAERPLSA-N
MW3218.67 g/mol
LogP34.97
Rot. Bonds42

About 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

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 (PubChem CID 157423692) has the molecular formula C179H148F7N39O7S4 and a molecular weight of 3218.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID157423692
Molecular FormulaC179H148F7N39O7S4
Molecular Weight3218.67 g/mol
Exact Mass3216.12
IUPAC Name2-[[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
SMILESCc1cc(CNC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)ccc1F.Cc1cc(CNC(=O)c2cccnc2NC/C=C/c2ccc3c(c2)CC(=O)/C3=C\C2=CN=CC2)ccc1F.Cc1cc([C@H](C)n2cnc3c(C#N)cnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3c2=O)ccc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3cnc4[nH]ncc4c3)cc2)cc1
InChIInChI=1S/C32H27N7OS.C31H27FN4O2.C30H23FN8OS.C29H24FN7OS.C29H25N7O.C28H22F4N6OS/c1-19-4-6-22(7-5-19)20(2)38-32(40)26-12-21(14-33)15-35-31(26)36-16-24-9-11-29(41-24)23-8-10-27-25(13-23)30-28(17-34-27)37-18-39(30)3;1-20-14-22(7-9-28(20)32)19-36-31(38)26-5-3-12-35-30(26)34-11-2-4-21-6-8-25-24(15-21)17-29(37)27(25)16-23-10-13-33-18-23;1-16-9-18(3-6-23(16)31)17(2)39-15-38-27-20(11-32)12-34-29(26(27)30(39)40)35-13-21-5-8-25(41-21)19-4-7-24-22(10-19)28(33)37-14-36-24;1-16-3-4-19(11-24(16)30)17(2)37-29(38)23-9-18(12-31)13-33-28(23)34-14-21-6-8-26(39-21)20-5-7-25-22(10-20)27(32)36-15-35-25;1-18-3-7-22(8-4-18)19(2)35-29(37)26-11-21(13-30)15-32-28(26)31-14-20-5-9-23(10-6-20)24-12-25-17-34-36-27(25)33-16-24;1-15-8-16(2-5-22(15)29)11-36-27(39)21-10-18(28(30,31)32)12-34-26(21)35-13-19-4-7-24(40-19)17-3-6-23-20(9-17)25(33)38-14-37-23/h4-13,15,17-18,20H,16H2,1-3H3,(H,35,36)(H,38,40);2-9,12-16,18H,10-11,17,19H2,1H3,(H,34,35)(H,36,38);3-10,12,14-15,17H,13H2,1-2H3,(H,34,35)(H2,33,36,37);3-11,13,15,17H,14H2,1-2H3,(H,33,34)(H,37,38)(H2,32,35,36);3-12,15-17,19H,14H2,1-2H3,(H,31,32)(H,35,37)(H,33,34,36);2-10,12,14H,11,13H2,1H3,(H,34,35)(H,36,39)(H2,33,37,38)/b;4-2+,27-16-;;;;/t20-;;2*17-;19-;/m0.000./s1
InChIKeyBPSDSPZIWNKFJR-MGIAERPLSA-N
XLogP34.97
TPSA682.18 Ų
H-Bond Donors15
H-Bond Acceptors44
Rotatable Bonds42
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003218.67
LogP ≤ 534.97
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-[2-[3-[2-[(3S)-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-methyl-3H-isoindol-1-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]-2H-quinolin-6-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145308616
5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydroquinazolin-8-yl]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 145308775
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]indazol-5-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145650626
methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157269542
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157348909
CID 157708656
CID 157708656
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 158211058
1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 158388376
3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-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-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;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 158590709
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
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridine;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 159108682

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(CNC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)ccc1F.Cc1cc(CNC(=O)c2cccnc2NC/C=C/c2ccc3c(c2)CC(=O)/C3=C\C2=CN=CC2)ccc1F.Cc1cc([C@H](C)n2cnc3c(C#N)cnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3c2=O)ccc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cnc2NCc2ccc(-c3cnc4[nH]ncc4c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is BPSDSPZIWNKFJR-MGIAERPLSA-N. The full InChI is InChI=1S/C32H27N7OS.C31H27FN4O2.C30H23FN8OS.C29H24FN7OS.C29H25N7O.C28H22F4N6OS/c1-19-4-6-22(7-5-19)20(2)38-32(40)26-12-21(14-33)15-35-31(26)36-16-24-9-11-29(41-24)23-8-10-27-25(13-23)30-28(17-34-27)37-18-39(30)3;1-20-14-22(7-9-28(20)32)19-36-31(38)26-5-3-12-35-30(26)34-11-2-4-21-6-8-25-24(15-21)17-29(37)27(25)16-23-10-13-33-18-23;1-16-9-18(3-6-23(16)31)17(2)39-15-38-27-20(11-32)12-34-29(26(27)30(39)40)35-13-21-5-8-25(41-21)19-4-7-24-22(10-19)28(33)37-14-36-24;1-16-3-4-19(11-24(16)30)17(2)37-29(38)23-9-18(12-31)13-33-28(23)34-14-21-6-8-26(39-21)20-5-7-25-22(10-20)27(32)36-15-35-25;1-18-3-7-22(8-4-18)19(2)35-29(37)26-11-21(13-30)15-32-28(26)31-14-20-5-9-23(10-6-20)24-12-25-17-34-36-27(25)33-16-24;1-15-8-16(2-5-22(15)29)11-36-27(39)21-10-18(28(30,31)32)12-34-26(21)35-13-19-4-7-24(40-19)17-3-6-23-20(9-17)25(33)38-14-37-23/h4-13,15,17-18,20H,16H2,1-3H3,(H,35,36)(H,38,40);2-9,12-16,18H,10-11,17,19H2,1H3,(H,34,35)(H,36,38);3-10,12,14-15,17H,13H2,1-2H3,(H,34,35)(H2,33,36,37);3-11,13,15,17H,14H2,1-2H3,(H,33,34)(H,37,38)(H2,32,35,36);3-12,15-17,19H,14H2,1-2H3,(H,31,32)(H,35,37)(H,33,34,36);2-10,12,14H,11,13H2,1H3,(H,34,35)(H,36,39)(H2,33,37,38)/b;4-2+,27-16-;;;;/t20-;;2*17-;19-;/m0.000./s1.
What are the key properties of 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?
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 has a molecular weight of 3218.67 g/mol, XLogP of 34.97, 42 rotatable bonds, 15 hydrogen bond donors, and 44 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-[(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 is sourced from PubChem (CID 157423692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).