C72H84Cl5N15O6 — CID 161247156
6-chloro-N-ethyl-1H-indazole-4-carboxamide;1-(6-chloro-1H-indazol-4-yl)-3-cyclohexylpropan-1-one;1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-2-methylpropan-1-ol;2-(6-chloro-1H-indazol-4-yl)propan-2-ol;4-(2-methylpropoxy)-1H-indazole (PubChem CID 161247156) has the molecular formula C72H84Cl5N15O6 and a molecular weight of 1432.83 g/mol. Its IUPAC name is 6-chloro-N-ethyl-1H-indazole-4-carboxamide;1-(6-chloro-1H-indazol-4-yl)-3-cyclohexylpropan-1-one;1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-2-methylpropan-1-ol;2-(6-chloro-1H-indazol-4-yl)propan-2-ol;4-(2-methylpropoxy)-1H-indazole.
| Compound Name | 6-chloro-N-ethyl-1H-indazole-4-carboxamide;1-(6-chloro-1H-indazol-4-yl)-3-cyclohexylpropan-1-one;1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-2-methylpropan-1-ol;2-(6-chloro-1H-indazol-4-yl)propan-2-ol;4-(2-methylpropoxy)-1H-indazole |
|---|---|
| PubChem CID | 161247156 |
| Molecular Formula | C72H84Cl5N15O6 |
| Molecular Weight | 1432.83 g/mol |
| Exact Mass | 1429.52 |
| IUPAC Name | 6-chloro-N-ethyl-1H-indazole-4-carboxamide;1-(6-chloro-1H-indazol-4-yl)-3-cyclohexylpropan-1-one;1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-2-methylpropan-1-ol;2-(6-chloro-1H-indazol-4-yl)propan-2-ol;4-(2-methylpropoxy)-1H-indazole |
| SMILES | CC(C)(O)c1cc(Cl)cc2[nH]ncc12.CC(C)C(O)c1cc(Cl)cc2[nH]ncc12.CC(C)COc1cccc2[nH]ncc12.CCNC(=O)c1cc(Cl)cc2[nH]ncc12.CN(C)C(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.O=C(CCC1CCCCC1)c1cc(Cl)cc2[nH]ncc12 |
| InChI | InChI=1S/C16H19ClN2O.C14H17ClN4O.C11H13ClN2O.C11H14N2O.C10H10ClN3O.C10H11ClN2O/c17-12-8-13(14-10-18-19-15(14)9-12)16(20)7-6-11-4-2-1-3-5-11;1-18(2)14(20)9-3-4-19(8-9)13-6-10(15)5-12-11(13)7-16-17-12;1-6(2)11(15)8-3-7(12)4-10-9(8)5-13-14-10;1-8(2)7-14-11-5-3-4-10-9(11)6-12-13-10;1-2-12-10(15)7-3-6(11)4-9-8(7)5-13-14-9;1-10(2,14)8-3-6(11)4-9-7(8)5-12-13-9/h8-11H,1-7H2,(H,18,19);5-7,9H,3-4,8H2,1-2H3,(H,16,17);3-6,11,15H,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3,(H,12,13);3-5H,2H2,1H3,(H,12,15)(H,13,14);3-5,14H,1-2H3,(H,12,13) |
| InChIKey | VAUDZBAFCNQGPM-UHFFFAOYSA-N |
| XLogP | 16.80 |
| TPSA | 291.49 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 98 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1432.83 |
| LogP ≤ 5 | 16.80 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 13 |