C176H125ClF30N40O25 — CID 159480833
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;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;5-(2-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;5-(2-oxo-1H-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 (PubChem CID 159480833) has the molecular formula C176H125ClF30N40O25 and a molecular weight of 3805.58 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;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;5-(2-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;5-(2-oxo-1H-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.
| 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;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;5-(2-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;5-(2-oxo-1H-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 |
|---|---|
| PubChem CID | 159480833 |
| Molecular Formula | C176H125ClF30N40O25 |
| Molecular Weight | 3805.58 g/mol |
| Exact Mass | 3802.89 |
| 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;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;5-(2-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide;5-(2-oxo-1H-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 |
| 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.COc1ncccc1-c1cncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1.Nc1ncc(-c2cncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cncnc2)ccn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccnc(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2ncc[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2ccc[nH]c2=O)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cncnc2)n1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cnn(CCO)c2)c1 |
| InChI | InChI=1S/C20H17F3N4O3.C19H14F3N3O3.C18H13F3N4O3.C18H15F3N4O3.C18H12F3N3O3.C17H12F3N5O2.2C17H11F3N4O2.C16H10ClF3N4O2.C16H10F3N5O2/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;1-27-18-16(3-2-8-24-18)12-9-13(11-23-10-12)17(26)25-14-4-6-15(7-5-14)28-19(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;19-18(20,21)27-14-5-3-13(4-6-14)24-16(25)12-8-11(9-22-10-12)15-2-1-7-23-17(15)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;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;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;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/h3-11,29H,1-2H3,(H,27,28);2-11H,1H3,(H,25,26);2-10H,1H3,(H,25,26);1-4,7-11,26H,5-6H2,(H,24,27);1-10H,(H,23,26)(H,24,25);1-9H,(H,25,26)(H2,21,23,24);2*1-10H,(H,24,25);1-8H,(H,21,22)(H,24,25);1-9H,(H,23,25) |
| InChIKey | LWZDWJBNURMNFD-UHFFFAOYSA-N |
| XLogP | 36.61 |
| TPSA | 856.96 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 272 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3805.58 |
| LogP ≤ 5 | 36.61 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 53 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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