3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

C175H150F8N40O6S6 — CID 159972431

IUPAC3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2nccnc2NCc2ccc(-c3cc4c(N)ncnc4cn3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2nccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.Cc1ccc([C@H](C)n2cnc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3c2=O)cc1F
InChIInChI=1S/C32H26F4N6OS.C31H28N6OS.C30H25FN6OS.C29H24FN7OS.C27H24FN7OS.C26H23FN8OS/c1-17-4-5-19(11-25(17)33)18(2)41-31(43)24-12-21(32(34,35)36)13-38-30(24)39-14-22-7-9-28(44-22)20-6-8-26-23(10-20)29-27(15-37-26)40-16-42(29)3;1-19-6-8-21(9-7-19)20(2)36-31(38)24-5-4-14-32-30(24)34-16-23-11-13-28(39-23)22-10-12-26-25(15-22)29-27(17-33-26)35-18-37(29)3;1-18-5-6-19(12-24(18)31)14-35-30(38)22-4-3-11-32-29(22)34-15-21-8-10-27(39-21)20-7-9-25-23(13-20)28-26(16-33-25)36-17-37(28)2;1-16-3-4-18(12-22(16)30)17(2)37-15-36-24-9-10-32-28(26(24)29(37)38)33-13-20-6-8-25(39-20)19-5-7-23-21(11-19)27(31)35-14-34-23;1-15-3-4-17(12-21(15)28)16(2)35-27(36)24-26(31-10-9-30-24)32-13-19-6-8-23(37-19)18-5-7-22-20(11-18)25(29)34-14-33-22;1-14-3-4-16(9-19(14)27)15(2)35-26(36)23-25(30-8-7-29-23)32-11-17-5-6-22(37-17)20-10-18-21(12-31-20)33-13-34-24(18)28/h4-13,15-16,18H,14H2,1-3H3,(H,38,39)(H,41,43);4-15,17-18,20H,16H2,1-3H3,(H,32,34)(H,36,38);3-13,16-17H,14-15H2,1-2H3,(H,32,34)(H,35,38);3-12,14-15,17H,13H2,1-2H3,(H,32,33)(H2,31,34,35);3-12,14,16H,13H2,1-2H3,(H,31,32)(H,35,36)(H2,29,33,34);3-10,12-13,15H,11H2,1-2H3,(H,30,32)(H,35,36)(H2,28,33,34)/t18-;20-;;17-;16-;15-/m00.000/s1
InChIKeyOESKEUVHJWMBQI-ZUYKVVIRSA-N
MW3253.78 g/mol
LogP36.38
Rot. Bonds41

About 3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 159972431) has the molecular formula C175H150F8N40O6S6 and a molecular weight of 3253.78 g/mol. Its IUPAC name is 3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID159972431
Molecular FormulaC175H150F8N40O6S6
Molecular Weight3253.78 g/mol
Exact Mass3251.09
IUPAC Name3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2nccnc2NCc2ccc(-c3cc4c(N)ncnc4cn3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2nccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.Cc1ccc([C@H](C)n2cnc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3c2=O)cc1F
InChIInChI=1S/C32H26F4N6OS.C31H28N6OS.C30H25FN6OS.C29H24FN7OS.C27H24FN7OS.C26H23FN8OS/c1-17-4-5-19(11-25(17)33)18(2)41-31(43)24-12-21(32(34,35)36)13-38-30(24)39-14-22-7-9-28(44-22)20-6-8-26-23(10-20)29-27(15-37-26)40-16-42(29)3;1-19-6-8-21(9-7-19)20(2)36-31(38)24-5-4-14-32-30(24)34-16-23-11-13-28(39-23)22-10-12-26-25(15-22)29-27(17-33-26)35-18-37(29)3;1-18-5-6-19(12-24(18)31)14-35-30(38)22-4-3-11-32-29(22)34-15-21-8-10-27(39-21)20-7-9-25-23(13-20)28-26(16-33-25)36-17-37(28)2;1-16-3-4-18(12-22(16)30)17(2)37-15-36-24-9-10-32-28(26(24)29(37)38)33-13-20-6-8-25(39-20)19-5-7-23-21(11-19)27(31)35-14-34-23;1-15-3-4-17(12-21(15)28)16(2)35-27(36)24-26(31-10-9-30-24)32-13-19-6-8-23(37-19)18-5-7-22-20(11-18)25(29)34-14-33-22;1-14-3-4-16(9-19(14)27)15(2)35-26(36)23-25(30-8-7-29-23)32-11-17-5-6-22(37-17)20-10-18-21(12-31-20)33-13-34-24(18)28/h4-13,15-16,18H,14H2,1-3H3,(H,38,39)(H,41,43);4-15,17-18,20H,16H2,1-3H3,(H,32,34)(H,36,38);3-13,16-17H,14-15H2,1-2H3,(H,32,34)(H,35,38);3-12,14-15,17H,13H2,1-2H3,(H,32,33)(H2,31,34,35);3-12,14,16H,13H2,1-2H3,(H,31,32)(H,35,36)(H2,29,33,34);3-10,12-13,15H,11H2,1-2H3,(H,30,32)(H,35,36)(H2,28,33,34)/t18-;20-;;17-;16-;15-/m00.000/s1
InChIKeyOESKEUVHJWMBQI-ZUYKVVIRSA-N
XLogP36.38
TPSA616.11 Ų
H-Bond Donors14
H-Bond Acceptors47
Rotatable Bonds41
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003253.78
LogP ≤ 536.38
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1047

Analyze 3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

US10030016, Example 49
CID 68160325
US10030016, Example 2.18
CID 68160413
US10030016, Example 2.28
CID 68160471
US10030016, Example 2.24
CID 68160588
US10030016, Example 2.25
CID 68160711
US10030016, Example 2.19
CID 68160716
US10030016, Example 8.5.8
CID 68160729
US10030016, Example 2.26
CID 68160761
US10030016, Example 354
CID 68160765
US10030016, Example 2.27
CID 68161104
US10030016, Example 2.16
CID 68160594
US10030016, Example 2.17
CID 68160731

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (CID 159972431) is 3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cccnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncc5ncn(C)c5c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2nccnc2NCc2ccc(-c3cc4c(N)ncnc4cn3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2nccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.Cc1ccc([C@H](C)n2cnc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3c2=O)cc1F.
What is the InChIKey of 3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is OESKEUVHJWMBQI-ZUYKVVIRSA-N. The full InChI is InChI=1S/C32H26F4N6OS.C31H28N6OS.C30H25FN6OS.C29H24FN7OS.C27H24FN7OS.C26H23FN8OS/c1-17-4-5-19(11-25(17)33)18(2)41-31(43)24-12-21(32(34,35)36)13-38-30(24)39-14-22-7-9-28(44-22)20-6-8-26-23(10-20)29-27(15-37-26)40-16-42(29)3;1-19-6-8-21(9-7-19)20(2)36-31(38)24-5-4-14-32-30(24)34-16-23-11-13-28(39-23)22-10-12-26-25(15-22)29-27(17-33-26)35-18-37(29)3;1-18-5-6-19(12-24(18)31)14-35-30(38)22-4-3-11-32-29(22)34-15-21-8-10-27(39-21)20-7-9-25-23(13-20)28-26(16-33-25)36-17-37(28)2;1-16-3-4-18(12-22(16)30)17(2)37-15-36-24-9-10-32-28(26(24)29(37)38)33-13-20-6-8-25(39-20)19-5-7-23-21(11-19)27(31)35-14-34-23;1-15-3-4-17(12-21(15)28)16(2)35-27(36)24-26(31-10-9-30-24)32-13-19-6-8-23(37-19)18-5-7-22-20(11-18)25(29)34-14-33-22;1-14-3-4-16(9-19(14)27)15(2)35-26(36)23-25(30-8-7-29-23)32-11-17-5-6-22(37-17)20-10-18-21(12-31-20)33-13-34-24(18)28/h4-13,15-16,18H,14H2,1-3H3,(H,38,39)(H,41,43);4-15,17-18,20H,16H2,1-3H3,(H,32,34)(H,36,38);3-13,16-17H,14-15H2,1-2H3,(H,32,34)(H,35,38);3-12,14-15,17H,13H2,1-2H3,(H,32,33)(H2,31,34,35);3-12,14,16H,13H2,1-2H3,(H,31,32)(H,35,36)(H2,29,33,34);3-10,12-13,15H,11H2,1-2H3,(H,30,32)(H,35,36)(H2,28,33,34)/t18-;20-;;17-;16-;15-/m00.000/s1.
What are the key properties of 3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 3253.78 g/mol, XLogP of 36.38, 41 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 159972431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).