C158H96Cl7F29N30O18 — CID 160605296
bis(6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide);6-chloro-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-fluoro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 160605296) has the molecular formula C158H96Cl7F29N30O18 and a molecular weight of 3501.81 g/mol. Its IUPAC name is bis(6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide);6-chloro-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-fluoro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.
| Compound Name | bis(6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide);6-chloro-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-fluoro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 160605296 |
| Molecular Formula | C158H96Cl7F29N30O18 |
| Molecular Weight | 3501.81 g/mol |
| Exact Mass | 3496.49 |
| IUPAC Name | bis(6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide);6-chloro-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-fluoro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide |
| SMILES | O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(Cl)c(-c2cncc(F)c2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(Cl)c(-c2cncc(F)c2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cncnc2)ccc1F.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)n1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cncc(F)c2)c1 |
| InChI | InChI=1S/2C18H10Cl2F3N3O2.C18H11ClF3N3O2.2C18H11F4N3O2.C18H12F3N3O2.C17H10ClF3N4O2.C17H11F3N4O2.C16H10ClF3N4O2/c2*19-16-15(10-5-12(21)9-24-7-10)6-11(8-25-16)17(27)26-13-1-3-14(4-2-13)28-18(20,22)23;19-16-15(11-2-1-7-23-9-11)8-12(10-24-16)17(26)25-13-3-5-14(6-4-13)27-18(20,21)22;19-16-6-1-11(12-8-23-10-24-9-12)7-15(16)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22;19-14-6-12(8-24-10-14)11-5-13(9-23-7-11)17(26)25-15-1-3-16(4-2-15)27-18(20,21)22;19-18(20,21)26-16-5-3-15(4-6-16)24-17(25)14-8-13(10-23-11-14)12-2-1-7-22-9-12;18-15-14(11-6-22-9-23-7-11)5-10(8-24-15)16(26)25-12-1-3-13(4-2-12)27-17(19,20)21;18-17(19,20)26-13-6-4-12(5-7-13)23-16(25)15-3-1-2-14(24-15)11-8-21-10-22-9-11;17-14-12(13-5-6-22-24-13)7-9(8-21-14)15(25)23-10-1-3-11(4-2-10)26-16(18,19)20/h2*1-9H,(H,26,27);3*1-10H,(H,25,26);1-11H,(H,24,25);1-9H,(H,25,26);1-10H,(H,23,25);1-8H,(H,22,24)(H,23,25) |
| InChIKey | REUGGMSRHBHVTE-UHFFFAOYSA-N |
| XLogP | 41.13 |
| TPSA | 618.56 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 242 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3501.81 |
| LogP ≤ 5 | 41.13 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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