C95H72ClF9N18O9 — CID 167604845
6-chloro-N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[1-propan-2-yl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[1-propan-2-yl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 167604845) has the molecular formula C95H72ClF9N18O9 and a molecular weight of 1816.17 g/mol. Its IUPAC name is 6-chloro-N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[1-propan-2-yl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[1-propan-2-yl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | 6-chloro-N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[1-propan-2-yl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[1-propan-2-yl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 167604845 |
| Molecular Formula | C95H72ClF9N18O9 |
| Molecular Weight | 1816.17 g/mol |
| Exact Mass | 1814.53 |
| IUPAC Name | 6-chloro-N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[1-propan-2-yl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[1-propan-2-yl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | CC(C)c1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C(C)C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1.CC(C)n1ncc2cc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)n(-c5ccc(F)cc5)c4=O)cc3F)c(-c3cn[nH]c3)cc21.Cn1ncc2cc(Oc3ccc(NC(=O)c4ccc(Cl)n(-c5ccc(F)cc5)c4=O)cc3F)c(-c3cn[nH]c3)cc21 |
| InChI | InChI=1S/C34H30F2N6O3.C32H23F5N6O3.C29H19ClF2N6O3/c1-19(2)29-11-10-26(34(44)41(29)25-8-5-23(35)6-9-25)33(43)40-24-7-12-31(28(36)14-24)45-32-13-21-18-39-42(20(3)4)30(21)15-27(32)22-16-37-38-17-22;1-17(2)43-26-13-24(19-14-38-39-15-19)28(11-18(26)16-40-43)46-27-9-5-21(12-25(27)34)41-30(44)23-8-10-29(32(35,36)37)42(31(23)45)22-6-3-20(33)4-7-22;1-37-24-12-22(17-13-33-34-14-17)26(10-16(24)15-35-37)41-25-8-4-19(11-23(25)32)36-28(39)21-7-9-27(30)38(29(21)40)20-5-2-18(31)3-6-20/h5-20H,1-4H3,(H,37,38)(H,40,43);3-17H,1-2H3,(H,38,39)(H,41,44);2-15H,1H3,(H,33,34)(H,36,39) |
| InChIKey | KFWUHXDIXFESKK-UHFFFAOYSA-N |
| XLogP | 21.19 |
| TPSA | 320.49 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 132 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1816.17 |
| LogP ≤ 5 | 21.19 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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