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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide

C203H183F7N36O12S4 — CID 159145003

IUPAC2-[[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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccnc(NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)c1C(=O)N[C@@H](C)c1ccc(C)cc1.Cc1ccc(CNC(=O)c2cc(C(F)(F)F)cnc2N[C@@H](COc2ccc3c(c2)CC(=O)N3)c2ccccc2)cc1F.Cc1ccc(CNC(=O)c2cccnc2CCc2cc(C3=CCc4ncccc43)ccn2)cc1F.Cc1ccc(CNC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(NC5CC5)c4c3)s2)cc1F.Cc1ccc(NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCCOc2ccc3c(c2)CC(=O)/C3=C\C2=CN=CC2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(C3=CCc4ncnc(N)c43)s2)cc1
InChIInChI=1S/C31H26F4N4O3.C31H29FN4O3.C30H27FN6OS.C29H25FN4O.C29H28N6O2S.C27H26N6OS.C26H22N6OS/c1-18-7-8-19(11-25(18)32)15-37-30(41)24-14-22(31(33,34)35)16-36-29(24)39-27(20-5-3-2-4-6-20)17-42-23-9-10-26-21(12-23)13-28(40)38-26;1-19-5-6-22(16-28(19)32)20(2)36-31(38)26-4-3-10-34-30(26)35-12-13-39-24-7-8-25-23(15-24)17-29(37)27(25)14-21-9-11-33-18-21;1-18-4-5-19(13-25(18)31)15-34-30(38)23-3-2-12-32-28(23)33-16-22-9-11-27(39-22)20-6-10-26-24(14-20)29(36-17-35-26)37-21-7-8-21;1-19-6-7-20(16-26(19)30)18-34-29(35)25-5-3-14-33-28(25)10-8-22-17-21(12-15-31-22)23-9-11-27-24(23)4-2-13-32-27;1-17-4-6-19(7-5-17)18(2)35-29(36)26-24(37-3)12-13-31-28(26)32-15-21-9-11-25(38-21)20-8-10-23-22(14-20)27(30)34-16-33-23;1-16-5-7-18(8-6-16)17(2)33-27(34)21-4-3-13-29-26(21)30-14-19-9-12-23(35-19)20-10-11-22-24(20)25(28)32-15-31-22;1-16-4-7-18(8-5-16)32-26(33)20-3-2-12-28-25(20)29-14-19-9-11-23(34-19)17-6-10-22-21(13-17)24(27)31-15-30-22/h2-12,14,16,27H,13,15,17H2,1H3,(H,36,39)(H,37,41)(H,38,40);3-8,10-11,14-16,18,20H,9,12-13,17H2,1-2H3,(H,34,35)(H,36,38);2-6,9-14,17,21H,7-8,15-16H2,1H3,(H,32,33)(H,34,38)(H,35,36,37);2-7,9,12-17H,8,10-11,18H2,1H3,(H,34,35);4-14,16,18H,15H2,1-3H3,(H,31,32)(H,35,36)(H2,30,33,34);3-10,12-13,15,17H,11,14H2,1-2H3,(H,29,30)(H,33,34)(H2,28,31,32);2-13,15H,14H2,1H3,(H,28,29)(H,32,33)(H2,27,30,31)/b;27-14-;;;;;/t27-;20-;;;18-;17-;/m00..00./s1
InChIKeyKIOKVQHWCWAKGG-ILGXGCJLSA-N
MW3580.19 g/mol
LogP39.10
Rot. Bonds55

About 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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide

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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 159145003) has the molecular formula C203H183F7N36O12S4 and a molecular weight of 3580.19 g/mol. Its IUPAC name is 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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID159145003
Molecular FormulaC203H183F7N36O12S4
Molecular Weight3580.19 g/mol
Exact Mass3577.36
IUPAC Name2-[[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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccnc(NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)c1C(=O)N[C@@H](C)c1ccc(C)cc1.Cc1ccc(CNC(=O)c2cc(C(F)(F)F)cnc2N[C@@H](COc2ccc3c(c2)CC(=O)N3)c2ccccc2)cc1F.Cc1ccc(CNC(=O)c2cccnc2CCc2cc(C3=CCc4ncccc43)ccn2)cc1F.Cc1ccc(CNC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(NC5CC5)c4c3)s2)cc1F.Cc1ccc(NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCCOc2ccc3c(c2)CC(=O)/C3=C\C2=CN=CC2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(C3=CCc4ncnc(N)c43)s2)cc1
InChIInChI=1S/C31H26F4N4O3.C31H29FN4O3.C30H27FN6OS.C29H25FN4O.C29H28N6O2S.C27H26N6OS.C26H22N6OS/c1-18-7-8-19(11-25(18)32)15-37-30(41)24-14-22(31(33,34)35)16-36-29(24)39-27(20-5-3-2-4-6-20)17-42-23-9-10-26-21(12-23)13-28(40)38-26;1-19-5-6-22(16-28(19)32)20(2)36-31(38)26-4-3-10-34-30(26)35-12-13-39-24-7-8-25-23(15-24)17-29(37)27(25)14-21-9-11-33-18-21;1-18-4-5-19(13-25(18)31)15-34-30(38)23-3-2-12-32-28(23)33-16-22-9-11-27(39-22)20-6-10-26-24(14-20)29(36-17-35-26)37-21-7-8-21;1-19-6-7-20(16-26(19)30)18-34-29(35)25-5-3-14-33-28(25)10-8-22-17-21(12-15-31-22)23-9-11-27-24(23)4-2-13-32-27;1-17-4-6-19(7-5-17)18(2)35-29(36)26-24(37-3)12-13-31-28(26)32-15-21-9-11-25(38-21)20-8-10-23-22(14-20)27(30)34-16-33-23;1-16-5-7-18(8-6-16)17(2)33-27(34)21-4-3-13-29-26(21)30-14-19-9-12-23(35-19)20-10-11-22-24(20)25(28)32-15-31-22;1-16-4-7-18(8-5-16)32-26(33)20-3-2-12-28-25(20)29-14-19-9-11-23(34-19)17-6-10-22-21(13-17)24(27)31-15-30-22/h2-12,14,16,27H,13,15,17H2,1H3,(H,36,39)(H,37,41)(H,38,40);3-8,10-11,14-16,18,20H,9,12-13,17H2,1-2H3,(H,34,35)(H,36,38);2-6,9-14,17,21H,7-8,15-16H2,1H3,(H,32,33)(H,34,38)(H,35,36,37);2-7,9,12-17H,8,10-11,18H2,1H3,(H,34,35);4-14,16,18H,15H2,1-3H3,(H,31,32)(H,35,36)(H2,30,33,34);3-10,12-13,15,17H,11,14H2,1-2H3,(H,29,30)(H,33,34)(H2,28,31,32);2-13,15H,14H2,1H3,(H,28,29)(H,32,33)(H2,27,30,31)/b;27-14-;;;;;/t27-;20-;;;18-;17-;/m00..00./s1
InChIKeyKIOKVQHWCWAKGG-ILGXGCJLSA-N
XLogP39.10
TPSA671.32 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds55
Heavy Atoms262
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003580.19
LogP ≤ 539.10
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 159145003) is 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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide is COc1ccnc(NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)c1C(=O)N[C@@H](C)c1ccc(C)cc1.Cc1ccc(CNC(=O)c2cc(C(F)(F)F)cnc2N[C@@H](COc2ccc3c(c2)CC(=O)N3)c2ccccc2)cc1F.Cc1ccc(CNC(=O)c2cccnc2CCc2cc(C3=CCc4ncccc43)ccn2)cc1F.Cc1ccc(CNC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(NC5CC5)c4c3)s2)cc1F.Cc1ccc(NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCCOc2ccc3c(c2)CC(=O)/C3=C\C2=CN=CC2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(C3=CCc4ncnc(N)c43)s2)cc1.
What is the InChIKey of 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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KIOKVQHWCWAKGG-ILGXGCJLSA-N. The full InChI is InChI=1S/C31H26F4N4O3.C31H29FN4O3.C30H27FN6OS.C29H25FN4O.C29H28N6O2S.C27H26N6OS.C26H22N6OS/c1-18-7-8-19(11-25(18)32)15-37-30(41)24-14-22(31(33,34)35)16-36-29(24)39-27(20-5-3-2-4-6-20)17-42-23-9-10-26-21(12-23)13-28(40)38-26;1-19-5-6-22(16-28(19)32)20(2)36-31(38)26-4-3-10-34-30(26)35-12-13-39-24-7-8-25-23(15-24)17-29(37)27(25)14-21-9-11-33-18-21;1-18-4-5-19(13-25(18)31)15-34-30(38)23-3-2-12-32-28(23)33-16-22-9-11-27(39-22)20-6-10-26-24(14-20)29(36-17-35-26)37-21-7-8-21;1-19-6-7-20(16-26(19)30)18-34-29(35)25-5-3-14-33-28(25)10-8-22-17-21(12-15-31-22)23-9-11-27-24(23)4-2-13-32-27;1-17-4-6-19(7-5-17)18(2)35-29(36)26-24(37-3)12-13-31-28(26)32-15-21-9-11-25(38-21)20-8-10-23-22(14-20)27(30)34-16-33-23;1-16-5-7-18(8-6-16)17(2)33-27(34)21-4-3-13-29-26(21)30-14-19-9-12-23(35-19)20-10-11-22-24(20)25(28)32-15-31-22;1-16-4-7-18(8-5-16)32-26(33)20-3-2-12-28-25(20)29-14-19-9-11-23(34-19)17-6-10-22-21(13-17)24(27)31-15-30-22/h2-12,14,16,27H,13,15,17H2,1H3,(H,36,39)(H,37,41)(H,38,40);3-8,10-11,14-16,18,20H,9,12-13,17H2,1-2H3,(H,34,35)(H,36,38);2-6,9-14,17,21H,7-8,15-16H2,1H3,(H,32,33)(H,34,38)(H,35,36,37);2-7,9,12-17H,8,10-11,18H2,1H3,(H,34,35);4-14,16,18H,15H2,1-3H3,(H,31,32)(H,35,36)(H2,30,33,34);3-10,12-13,15,17H,11,14H2,1-2H3,(H,29,30)(H,33,34)(H2,28,31,32);2-13,15H,14H2,1H3,(H,28,29)(H,32,33)(H2,27,30,31)/b;27-14-;;;;;/t27-;20-;;;18-;17-;/m00..00./s1.
What are the key properties of 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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide?
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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 3580.19 g/mol, XLogP of 39.10, 55 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 159145003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).