C170H161F27N24O8 — CID 158832203
(1,6-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-fluoroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 158832203) has the molecular formula C170H161F27N24O8 and a molecular weight of 3181.26 g/mol. Its IUPAC name is (1,6-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-fluoroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
| Compound Name | (1,6-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-fluoroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
|---|---|
| PubChem CID | 158832203 |
| Molecular Formula | C170H161F27N24O8 |
| Molecular Weight | 3181.26 g/mol |
| Exact Mass | 3179.25 |
| IUPAC Name | (1,6-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-fluoroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
| SMILES | CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2cc(F)ccc21.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc21.Cc1ccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n[nH]c2c1.Cc1ccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(C)c2c1.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2cc(F)ccc21.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2ccccc21.O=C(c1n[nH]c2ccc(F)cc12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1 |
| InChI | InChI=1S/C23H24F3N3O.C22H21F4N3O.C22H22F3N3O.C21H19F4N3O.2C21H20F3N3O.C20H17F4N3O.C20H18F3N3O/c1-3-29-20-14-15(2)8-9-18(20)21(27-29)22(30)28-12-10-16(11-13-28)17-6-4-5-7-19(17)23(24,25)26;1-2-29-19-8-7-15(23)13-17(19)20(27-29)21(30)28-11-9-14(10-12-28)16-5-3-4-6-18(16)22(24,25)26;1-14-7-8-17-19(13-14)27(2)26-20(17)21(29)28-11-9-15(10-12-28)16-5-3-4-6-18(16)22(23,24)25;1-27-18-7-6-14(22)12-16(18)19(26-27)20(29)28-10-8-13(9-11-28)15-4-2-3-5-17(15)21(23,24)25;1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24;1-13-6-7-16-18(12-13)25-26-19(16)20(28)27-10-8-14(9-11-27)15-4-2-3-5-17(15)21(22,23)24;21-13-5-6-17-15(11-13)18(26-25-17)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24;21-20(22,23)16-7-3-1-5-14(16)13-9-11-26(12-10-13)19(27)18-15-6-2-4-8-17(15)24-25-18/h4-9,14,16H,3,10-13H2,1-2H3;3-8,13-14H,2,9-12H2,1H3;3-8,13,15H,9-12H2,1-2H3;2-7,12-13H,8-11H2,1H3;2-9,14H,10-13H2,1H3;2-7,12,14H,8-11H2,1H3,(H,25,26);1-6,11-12H,7-10H2,(H,25,26);1-8,13H,9-12H2,(H,24,25) |
| InChIKey | IXELCGWPEIIYGZ-UHFFFAOYSA-N |
| XLogP | 39.17 |
| TPSA | 337.62 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 229 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3181.26 |
| LogP ≤ 5 | 39.17 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 21 |