C59H72Cl3F3N14O7S2 — CID 157405105
N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone (PubChem CID 157405105) has the molecular formula C59H72Cl3F3N14O7S2 and a molecular weight of 1316.80 g/mol. Its IUPAC name is N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone.
| Compound Name | N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone |
|---|---|
| PubChem CID | 157405105 |
| Molecular Formula | C59H72Cl3F3N14O7S2 |
| Molecular Weight | 1316.80 g/mol |
| Exact Mass | 1314.42 |
| IUPAC Name | N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone |
| SMILES | CC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1.CN(C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CN1C(=O)CCC12CCN(c1cc(Cl)cc3[nH]ccc13)CC2 |
| InChI | InChI=1S/C17H20ClN3O.C15H16F3N3O2.C14H19ClN4O2S.C13H17ClN4O2S/c1-20-16(22)2-4-17(20)5-8-21(9-6-17)15-11-12(18)10-14-13(15)3-7-19-14;1-10(22)20-4-6-21(7-5-20)14-9-11(23-15(16,17)18)8-13-12(14)2-3-19-13;1-18(22(2,20)21)11-4-3-5-19(9-11)14-7-10(15)6-13-12(14)8-16-17-13;1-17(21(2,19)20)10-3-4-18(8-10)13-6-9(14)5-12-11(13)7-15-16-12/h3,7,10-11,19H,2,4-6,8-9H2,1H3;2-3,8-9,19H,4-7H2,1H3;6-8,11H,3-5,9H2,1-2H3,(H,16,17);5-7,10H,3-4,8H2,1-2H3,(H,15,16) |
| InChIKey | BNPZADUITYJHFW-UHFFFAOYSA-N |
| XLogP | 9.91 |
| TPSA | 226.51 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 88 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1316.80 |
| LogP ≤ 5 | 9.91 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 13 |