C174H110Cl3F32N37O21 — CID 158547225
6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-chloro-5-(5-fluoro-3-pyridinyl)-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;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide;2-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;4-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 158547225) has the molecular formula C174H110Cl3F32N37O21 and a molecular weight of 3769.33 g/mol. Its IUPAC name is 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-chloro-5-(5-fluoro-3-pyridinyl)-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;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide;2-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;4-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.
| Compound Name | 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-chloro-5-(5-fluoro-3-pyridinyl)-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;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide;2-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;4-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158547225 |
| Molecular Formula | C174H110Cl3F32N37O21 |
| Molecular Weight | 3769.33 g/mol |
| Exact Mass | 3765.72 |
| IUPAC Name | 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-chloro-5-(5-fluoro-3-pyridinyl)-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;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide;2-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;4-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide |
| SMILES | COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccn2)cn1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(Cl)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cncnc2)ccc1F.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cncnc2)ccn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)n1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccnc(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2cncc(F)c2)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.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cncnc2)n1 |
| InChI | InChI=1S/C18H10ClF4N3O2.2C18H11F4N3O2.C18H13F3N4O3.C18H12F3N3O2.C17H10Cl2F2N4O2.3C17H11F3N4O2.C16H10F3N5O2/c19-16-15(10-5-12(20)9-24-7-10)6-11(8-25-16)17(27)26-13-1-3-14(4-2-13)28-18(21,22)23;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;1-27-17-23-9-12(10-24-17)15-8-11(6-7-22-15)16(26)25-13-2-4-14(5-3-13)28-18(19,20)21;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)26-14-3-1-13(2-4-14)24-16(25)11-5-6-23-15(7-11)12-8-21-10-22-9-12;18-17(19,20)26-14-3-1-13(2-4-14)24-16(25)15-7-11(5-6-23-15)12-8-21-10-22-9-12;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;17-16(18,19)26-12-3-1-11(2-4-12)23-15(25)14-8-20-7-13(24-14)10-5-21-9-22-6-10/h1-9H,(H,26,27);2*1-10H,(H,25,26);2-10H,1H3,(H,25,26);1-11H,(H,24,25);1-9H,(H,25,26);2*1-10H,(H,24,25);1-10H,(H,23,25);1-9H,(H,23,25) |
| InChIKey | HPGRNHLNZUTVFN-UHFFFAOYSA-N |
| XLogP | 40.71 |
| TPSA | 740.56 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 267 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3769.33 |
| LogP ≤ 5 | 40.71 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 48 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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