C74H84Cl4F3N17O7S — CID 159064848
N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole (PubChem CID 159064848) has the molecular formula C74H84Cl4F3N17O7S and a molecular weight of 1554.47 g/mol. Its IUPAC name is N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole.
| Compound Name | N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole |
|---|---|
| PubChem CID | 159064848 |
| Molecular Formula | C74H84Cl4F3N17O7S |
| Molecular Weight | 1554.47 g/mol |
| Exact Mass | 1551.52 |
| IUPAC Name | N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole |
| SMILES | CC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)N(C)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CCC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1 |
| InChI | InChI=1S/C16H14ClN3O.C15H19ClN4O.C15H18ClN3O.C14H17ClN4O.C14H16F3N3O3S/c1-10(21)20(2)13-5-3-11(4-6-13)14-7-12(17)8-16-15(14)9-18-19-16;1-10(21)19(2)12-3-5-20(6-4-12)15-8-11(16)7-14-13(15)9-17-18-14;1-2-15(20)10-3-5-19(6-4-10)14-8-11(16)7-13-12(14)9-17-18-13;1-9(20)17-11-2-4-19(5-3-11)14-7-10(15)6-13-12(14)8-16-18-13;1-24(21,22)20-4-2-9(3-5-20)11-6-10(23-14(15,16)17)7-13-12(11)8-18-19-13/h3-9H,1-2H3,(H,18,19);7-9,12H,3-6H2,1-2H3,(H,17,18);7-10H,2-6H2,1H3,(H,17,18);6-8,11H,2-5H2,1H3,(H,16,18)(H,17,20);6-9H,2-5H2,1H3,(H,18,19) |
| InChIKey | JYXQPEYSYOWAPT-UHFFFAOYSA-N |
| XLogP | 14.86 |
| TPSA | 286.52 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 106 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1554.47 |
| LogP ≤ 5 | 14.86 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 15 |