C79H96ClF6N17O11S4 — CID 160914332
N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole (PubChem CID 160914332) has the molecular formula C79H96ClF6N17O11S4 and a molecular weight of 1737.45 g/mol. Its IUPAC name is N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole.
| Compound Name | N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole |
|---|---|
| PubChem CID | 160914332 |
| Molecular Formula | C79H96ClF6N17O11S4 |
| Molecular Weight | 1737.45 g/mol |
| Exact Mass | 1735.60 |
| IUPAC Name | N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole |
| SMILES | CC(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.CC1(C)CN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)Nc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1 |
| InChI | InChI=1S/C19H25N3O.C18H25N3O2S.C15H19F3N4O3S.C14H12ClN3O2S.C13H15F3N4O3S/c1-13(23)22-8-6-15(7-9-22)17-10-16(14-4-2-3-5-14)11-19-18(17)12-20-21-19;1-24(22,23)21-8-6-14(7-9-21)16-10-15(13-4-2-3-5-13)11-18-17(16)12-19-20-18;1-14(2)9-21(4-5-22(14)26(3,23)24)13-7-10(25-15(16,17)18)6-12-11(13)8-19-20-12;1-21(19,20)18-11-4-2-9(3-5-11)12-6-10(15)7-14-13(12)8-16-17-14;1-24(21,22)20-4-2-19(3-5-20)12-7-9(23-13(14,15)16)6-11-10(12)8-17-18-11/h10-12,14-15H,2-9H2,1H3,(H,20,21);10-14H,2-9H2,1H3,(H,19,20);6-8H,4-5,9H2,1-3H3,(H,19,20);2-8,18H,1H3,(H,16,17);6-8H,2-5H2,1H3,(H,17,18) |
| InChIKey | SREZOVAJDHXSGS-UHFFFAOYSA-N |
| XLogP | 14.43 |
| TPSA | 346.96 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 118 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1737.45 |
| LogP ≤ 5 | 14.43 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 18 |