C107H78ClF19N24O15 — CID 160679059
5-(2-aminopyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-[1-(2-hydroxyethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxypropan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide (PubChem CID 160679059) has the molecular formula C107H78ClF19N24O15 and a molecular weight of 2336.37 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-[1-(2-hydroxyethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxypropan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide.
| Compound Name | 5-(2-aminopyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-[1-(2-hydroxyethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxypropan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide |
|---|---|
| PubChem CID | 160679059 |
| Molecular Formula | C107H78ClF19N24O15 |
| Molecular Weight | 2336.37 g/mol |
| Exact Mass | 2334.55 |
| IUPAC Name | 5-(2-aminopyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-[1-(2-hydroxyethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxypropan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide |
| SMILES | CC(C)(O)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccn2)cn1.Nc1ncc(-c2cncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1F.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2ncc[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cnn(CCO)c2)c1 |
| InChI | InChI=1S/C20H17F3N4O3.C18H11F4N3O2.C18H13F3N4O3.C18H15F3N4O3.C17H12F3N5O2.C16H10ClF3N4O2/c1-19(2,29)17-16(13-8-24-11-25-9-13)7-12(10-26-17)18(28)27-14-3-5-15(6-4-14)30-20(21,22)23;19-16-14(11-8-23-10-24-9-11)2-1-3-15(16)17(26)25-12-4-6-13(7-5-12)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)28-16-3-1-15(2-4-16)24-17(27)13-7-12(8-22-9-13)14-10-23-25(11-14)5-6-26;18-17(19,20)27-14-3-1-13(2-4-14)25-15(26)11-5-10(6-22-7-11)12-8-23-16(21)24-9-12;17-13-12(14-21-5-6-22-14)7-9(8-23-13)15(25)24-10-1-3-11(4-2-10)26-16(18,19)20/h3-11,29H,1-2H3,(H,27,28);1-10H,(H,25,26);2-10H,1H3,(H,25,26);1-4,7-11,26H,5-6H2,(H,24,27);1-9H,(H,25,26)(H2,21,23,24);1-8H,(H,21,22)(H,24,25) |
| InChIKey | RNXBNEBCQZSASP-UHFFFAOYSA-N |
| XLogP | 22.68 |
| TPSA | 519.76 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2336.37 |
| LogP ≤ 5 | 22.68 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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