C172H144F10N36O10 — CID 163770927
N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 163770927) has the molecular formula C172H144F10N36O10 and a molecular weight of 3065.27 g/mol. Its IUPAC name is N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
| Compound Name | N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide |
|---|---|
| PubChem CID | 163770927 |
| Molecular Formula | C172H144F10N36O10 |
| Molecular Weight | 3065.27 g/mol |
| Exact Mass | 3063.17 |
| IUPAC Name | N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide |
| SMILES | CCn1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cc(C5CC5)c(C#N)n(-c5ccc(F)cc5)c4=O)cc3F)c2)cn1.CCn1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(C5CC5)c(C#N)c(-c5ccc(F)cc5)c4=O)cc3F)c2)cn1.CN1CCC(n2cc(-c3cnc(N)c(-c4ccc(NC(=O)c5cc(C6CC6)c(C#N)n(-c6ccc(F)cc6)c5=O)cc4F)c3)cn2)CC1.N#Cc1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCCCC5)c4)cnc3N)c(F)c2)cn1C1CC1.N#Cc1c(C2CC2)cc(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCCCC5)c4)cnc3N)c(F)c2)c(=O)n1-c1ccc(F)cc1 |
| InChI | InChI=1S/C36H32F2N8O2.2C36H31F2N7O2.2C32H25F2N7O2/c1-44-12-10-26(11-13-44)45-20-23(19-42-45)22-14-30(34(40)41-18-22)28-9-6-25(15-32(28)38)43-35(47)31-16-29(21-2-3-21)33(17-39)46(36(31)48)27-7-4-24(37)5-8-27;37-24-8-6-21(7-9-24)33-32(16-39)44(26-11-12-26)20-30(34(33)46)36(47)43-25-10-13-28(31(38)15-25)29-14-22(17-41-35(29)40)23-18-42-45(19-23)27-4-2-1-3-5-27;37-24-8-11-27(12-9-24)45-33(17-39)29(21-6-7-21)16-31(36(45)47)35(46)43-25-10-13-28(32(38)15-25)30-14-22(18-41-34(30)40)23-19-42-44(20-23)26-4-2-1-3-5-26;1-2-40-16-20(15-38-40)19-11-25(31(36)37-14-19)24-10-7-22(12-27(24)34)39-32(43)26-17-41(23-8-9-23)28(13-35)29(30(26)42)18-3-5-21(33)6-4-18;1-2-40-17-20(16-38-40)19-11-26(30(36)37-15-19)24-10-7-22(12-28(24)34)39-31(42)27-13-25(18-3-4-18)29(14-35)41(32(27)43)23-8-5-21(33)6-9-23/h4-9,14-16,18-21,26H,2-3,10-13H2,1H3,(H2,40,41)(H,43,47);6-10,13-15,17-20,26-27H,1-5,11-12H2,(H2,40,41)(H,43,47);8-16,18-21,26H,1-7H2,(H2,40,41)(H,43,46);3-7,10-12,14-17,23H,2,8-9H2,1H3,(H2,36,37)(H,39,43);5-13,15-18H,2-4H2,1H3,(H2,36,37)(H,39,42) |
| InChIKey | MGJHJSKJONUBNP-UHFFFAOYSA-N |
| XLogP | 31.71 |
| TPSA | 661.34 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 228 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3065.27 |
| LogP ≤ 5 | 31.71 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 41 |