C130H92ClF18N31O8 — CID 158338543
4-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-naphthalen-2-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenoxyethyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]oxane-4-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 158338543) has the molecular formula C130H92ClF18N31O8 and a molecular weight of 2593.79 g/mol. Its IUPAC name is 4-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-naphthalen-2-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenoxyethyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]oxane-4-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide.
| Compound Name | 4-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-naphthalen-2-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenoxyethyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]oxane-4-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158338543 |
| Molecular Formula | C130H92ClF18N31O8 |
| Molecular Weight | 2593.79 g/mol |
| Exact Mass | 2591.71 |
| IUPAC Name | 4-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-naphthalen-2-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenoxyethyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]oxane-4-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide |
| SMILES | O=C(NCCOc1ccccc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)C1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccccc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccnc1.O=C(Nc1ccc2ccccc2c1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1 |
| InChI | InChI=1S/C25H16F3N5O.C23H18F3N5O2.C21H13ClF3N5O.C21H14F3N5O.C20H13F3N6O.C20H18F3N5O2/c26-25(27,28)22-13-21(18-6-3-11-29-14-18)32-33(22)23-10-8-19(15-30-23)24(34)31-20-9-7-16-4-1-2-5-17(16)12-20;24-23(25,26)20-13-19(16-5-4-10-27-14-16)30-31(20)21-9-8-17(15-29-21)22(32)28-11-12-33-18-6-2-1-3-7-18;22-15-5-3-13(4-6-15)20(31)28-16-7-8-19(27-12-16)30-18(21(23,24)25)10-17(29-30)14-2-1-9-26-11-14;22-21(23,24)18-11-17(15-7-4-10-25-12-15)28-29(18)19-9-8-16(13-26-19)27-20(30)14-5-2-1-3-6-14;21-20(22,23)17-9-16(13-3-1-7-24-10-13)28-29(17)18-6-5-15(12-26-18)27-19(30)14-4-2-8-25-11-14;21-20(22,23)17-10-16(14-2-1-7-24-11-14)27-28(17)18-4-3-15(12-25-18)26-19(29)13-5-8-30-9-6-13/h1-15H,(H,31,34);1-10,13-15H,11-12H2,(H,28,32);1-12H,(H,28,31);1-13H,(H,27,30);1-12H,(H,27,30);1-4,7,10-13H,5-6,8-9H2,(H,26,29) |
| InChIKey | GQWOSRUAWIFWEH-UHFFFAOYSA-N |
| XLogP | 27.47 |
| TPSA | 467.55 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 188 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2593.79 |
| LogP ≤ 5 | 27.47 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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