C173H151F11N36O10 — CID 163984900
N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide;N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,5-difluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 163984900) has the molecular formula C173H151F11N36O10 and a molecular weight of 3103.33 g/mol. Its IUPAC name is N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide;N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,5-difluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide.
| Compound Name | N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide;N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,5-difluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide |
|---|---|
| PubChem CID | 163984900 |
| Molecular Formula | C173H151F11N36O10 |
| Molecular Weight | 3103.33 g/mol |
| Exact Mass | 3101.22 |
| IUPAC Name | N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide;N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,5-difluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide |
| SMILES | CC(C)n1cc(C(=O)Nc2cc(F)c(-c3cc(-c4cnn(C)c4)cnc3N)cc2F)c(=O)c(-c2ccc(F)cc2)c1C#N.CC(C)n1cc(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCCCC5)c4)cnc3N)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C#N.CC(C)n1cc(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCN(C)CC5)c4)cnc3N)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C#N.CCn1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(C5CCC5)c(C#N)c(-c5ccc(F)cc5)c4=O)cc3F)c2)cn1.N#Cc1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCCCC5)c4)cnc3N)c(F)c2)cn1C1CCC1 |
| InChI | InChI=1S/C37H33F2N7O2.C36H34F2N8O2.C36H33F2N7O2.C33H27F2N7O2.C31H24F3N7O2/c38-25-11-9-22(10-12-25)34-33(17-40)45(27-7-4-8-27)21-31(35(34)47)37(48)44-26-13-14-29(32(39)16-26)30-15-23(18-42-36(30)41)24-19-43-46(20-24)28-5-2-1-3-6-28;1-21(2)45-20-30(34(47)33(32(45)16-39)22-4-6-25(37)7-5-22)36(48)43-26-8-9-28(31(38)15-26)29-14-23(17-41-35(29)40)24-18-42-46(19-24)27-10-12-44(3)13-11-27;1-21(2)44-20-30(34(46)33(32(44)16-39)22-8-10-25(37)11-9-22)36(47)43-26-12-13-28(31(38)15-26)29-14-23(17-41-35(29)40)24-18-42-45(19-24)27-6-4-3-5-7-27;1-2-41-17-21(16-39-41)20-12-26(32(37)38-15-20)25-11-10-23(13-28(25)35)40-33(44)27-18-42(24-4-3-5-24)29(14-36)30(31(27)43)19-6-8-22(34)9-7-19;1-16(2)41-15-23(29(42)28(27(41)11-35)17-4-6-20(32)7-5-17)31(43)39-26-10-24(33)21(9-25(26)34)22-8-18(12-37-30(22)36)19-13-38-40(3)14-19/h9-16,18-21,27-28H,1-8H2,(H2,41,42)(H,44,48);4-9,14-15,17-21,27H,10-13H2,1-3H3,(H2,40,41)(H,43,48);8-15,17-21,27H,3-7H2,1-2H3,(H2,40,41)(H,43,47);6-13,15-18,24H,2-5H2,1H3,(H2,37,38)(H,40,44);4-10,12-16H,1-3H3,(H2,36,37)(H,39,43) |
| InChIKey | TVKISYWZVWRYGE-UHFFFAOYSA-N |
| XLogP | 33.29 |
| TPSA | 661.34 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 230 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3103.33 |
| LogP ≤ 5 | 33.29 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 41 |