C83H69F4N23O4 — CID 159462152
3-(4-ethoxyphenyl)-1H-indazole-5-carboxamide;3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole (PubChem CID 159462152) has the molecular formula C83H69F4N23O4 and a molecular weight of 1528.61 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1H-indazole-5-carboxamide;3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole.
| Compound Name | 3-(4-ethoxyphenyl)-1H-indazole-5-carboxamide;3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole |
|---|---|
| PubChem CID | 159462152 |
| Molecular Formula | C83H69F4N23O4 |
| Molecular Weight | 1528.61 g/mol |
| Exact Mass | 1527.58 |
| IUPAC Name | 3-(4-ethoxyphenyl)-1H-indazole-5-carboxamide;3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole |
| SMILES | CCOc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.CCOc1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1.CCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.FC(F)(F)Oc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 |
| InChI | InChI=1S/C17H14FN5.C17H15N5O.C17H15N5.C16H10F3N5O.C16H15N3O2/c1-2-15-19-17(23-21-15)11-5-8-14-13(9-11)16(22-20-14)10-3-6-12(18)7-4-10;1-2-23-13-6-3-11(4-7-13)16-14-9-12(17-18-10-19-22-17)5-8-15(14)20-21-16;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;17-16(18,19)25-11-3-1-2-9(6-11)14-12-7-10(15-20-8-21-24-15)4-5-13(12)22-23-14;1-2-21-12-6-3-10(4-7-12)15-13-9-11(16(17)20)5-8-14(13)18-19-15/h3-9H,2H2,1H3,(H,20,22)(H,19,21,23);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);1-8H,(H,22,23)(H,20,21,24);3-9H,2H2,1H3,(H2,17,20)(H,18,19) |
| InChIKey | LUSKSJXOHCMRIW-UHFFFAOYSA-N |
| XLogP | 17.35 |
| TPSA | 380.46 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 114 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1528.61 |
| LogP ≤ 5 | 17.35 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 17 |