C161H124F3N33O6 — CID 159459799
2-(1,5-diphenyltriazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide;2-[1-(4-methylphenyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-2-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-3-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide (PubChem CID 159459799) has the molecular formula C161H124F3N33O6 and a molecular weight of 2673.98 g/mol. Its IUPAC name is 2-(1,5-diphenyltriazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide;2-[1-(4-methylphenyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-2-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-3-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide.
| Compound Name | 2-(1,5-diphenyltriazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide;2-[1-(4-methylphenyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-2-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-3-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide |
|---|---|
| PubChem CID | 159459799 |
| Molecular Formula | C161H124F3N33O6 |
| Molecular Weight | 2673.98 g/mol |
| Exact Mass | 2672.04 |
| IUPAC Name | 2-(1,5-diphenyltriazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide;2-[1-(4-methylphenyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-2-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-3-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide |
| SMILES | Cc1ccc(-n2nnc(CC(=O)Nc3ccc(-c4ccccc4)cn3)c2-c2ccccc2)cc1.O=C(Cc1nnn(-c2ccccc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1.O=C(Cc1nnn(-c2ccccc2C(F)(F)F)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1.O=C(Cc1nnn(-c2ccccn2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1.O=C(Cc1nnn(-c2cccnc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1 |
| InChI | InChI=1S/C28H20F3N5O.C28H23N5O.C27H21N5O.3C26H20N6O/c29-28(30,31)22-13-7-8-14-24(22)36-27(20-11-5-2-6-12-20)23(34-35-36)17-26(37)33-25-16-15-21(18-32-25)19-9-3-1-4-10-19;1-20-12-15-24(16-13-20)33-28(22-10-6-3-7-11-22)25(31-32-33)18-27(34)30-26-17-14-23(19-29-26)21-8-4-2-5-9-21;33-26(29-25-17-16-22(19-28-25)20-10-4-1-5-11-20)18-24-27(21-12-6-2-7-13-21)32(31-30-24)23-14-8-3-9-15-23;33-25(29-23-15-14-21(18-28-23)19-9-3-1-4-10-19)17-22-26(20-11-5-2-6-12-20)32(31-30-22)24-13-7-8-16-27-24;33-25(29-24-14-13-21(17-28-24)19-8-3-1-4-9-19)16-23-26(20-10-5-2-6-11-20)32(31-30-23)22-12-7-15-27-18-22;33-25(29-24-12-11-21(18-28-24)19-7-3-1-4-8-19)17-23-26(20-9-5-2-6-10-20)32(31-30-23)22-13-15-27-16-14-22/h1-16,18H,17H2,(H,32,33,37);2-17,19H,18H2,1H3,(H,29,30,34);1-17,19H,18H2,(H,28,29,33);1-16,18H,17H2,(H,28,29,33);1-15,17-18H,16H2,(H,28,29,33);1-16,18H,17H2,(H,28,29,33) |
| InChIKey | LULGNNWEVCDAGG-UHFFFAOYSA-N |
| XLogP | 30.58 |
| TPSA | 474.87 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 203 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2673.98 |
| LogP ≤ 5 | 30.58 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 33 |