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;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

C179H153F3N38O7S5 — CID 159508554

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;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
SMILESCc1ccc(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.C31H27FN6OS.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;1-18-6-7-20(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;1-17-2-3-18(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);4-14,16-17,19H,15H2,1-3H3,(H,33,35)(H,37,39);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-;19-;;2*18-;/m00.00./s1
InChIKeyMAHQBKXXJVPWJB-OIVFMUPYSA-N
MW3165.78 g/mol
LogP34.52
Rot. Bonds41

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;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;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 159508554) has the molecular formula C179H153F3N38O7S5 and a molecular weight of 3165.78 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;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;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 CID159508554
Molecular FormulaC179H153F3N38O7S5
Molecular Weight3165.78 g/mol
Exact Mass3163.13
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;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
SMILESCc1ccc(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.C31H27FN6OS.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;1-18-6-7-20(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;1-17-2-3-18(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);4-14,16-17,19H,15H2,1-3H3,(H,33,35)(H,37,39);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-;19-;;2*18-;/m00.00./s1
InChIKeyMAHQBKXXJVPWJB-OIVFMUPYSA-N
XLogP34.52
TPSA659.83 Ų
H-Bond Donors14
H-Bond Acceptors45
Rotatable Bonds41
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003165.78
LogP ≤ 534.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1045

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-[(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;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;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;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 159508554) 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;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;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;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 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;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 MAHQBKXXJVPWJB-OIVFMUPYSA-N. The full InChI is InChI=1S/C33H29N5O2.C31H27FN6OS.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;1-18-6-7-20(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;1-17-2-3-18(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);4-14,16-17,19H,15H2,1-3H3,(H,33,35)(H,37,39);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-;19-;;2*18-;/m00.00./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;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;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 3165.78 g/mol, XLogP of 34.52, 41 rotatable bonds, 14 hydrogen bond donors, and 45 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;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 159508554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).