C66H51ClF3N21O2 — CID 162029954
3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole (PubChem CID 162029954) has the molecular formula C66H51ClF3N21O2 and a molecular weight of 1262.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole.
| Compound Name | 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole |
|---|---|
| PubChem CID | 162029954 |
| Molecular Formula | C66H51ClF3N21O2 |
| Molecular Weight | 1262.73 g/mol |
| Exact Mass | 1261.42 |
| IUPAC Name | 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole |
| SMILES | CCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.Cc1nc(-c2ccc3[nH]nc(-c4ccc(Cl)cc4)c3c2)n[nH]1.FC(F)(F)Oc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1 |
| InChI | InChI=1S/C17H14N6O.C17H15N5.C16H12ClN5.C16H10F3N5O/c1-18-17(24)12-4-2-3-10(7-12)15-13-8-11(16-19-9-20-23-16)5-6-14(13)21-22-15;1-2-11-4-3-5-12(8-11)16-14-9-13(17-18-10-19-22-17)6-7-15(14)20-21-16;1-9-18-16(22-19-9)11-4-7-14-13(8-11)15(21-20-14)10-2-5-12(17)6-3-10;17-16(18,19)25-11-4-1-9(2-5-11)14-12-7-10(15-20-8-21-24-15)3-6-13(12)22-23-14/h2-9H,1H3,(H,18,24)(H,21,22)(H,19,20,23);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);2-8H,1H3,(H,20,21)(H,18,19,22);1-8H,(H,22,23)(H,20,21,24) |
| InChIKey | YVWPSUDYYBRBQJ-UHFFFAOYSA-N |
| XLogP | 13.84 |
| TPSA | 319.33 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 93 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1262.73 |
| LogP ≤ 5 | 13.84 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 14 |