C133H165F11N18O12 — CID 159511619
1-[1-[[5-fluoro-3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxy-5-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone;1-(2-fluorophenyl)-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-2-one;3-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 159511619) has the molecular formula C133H165F11N18O12 and a molecular weight of 2416.87 g/mol. Its IUPAC name is 1-[1-[[5-fluoro-3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxy-5-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone;1-(2-fluorophenyl)-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-2-one;3-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone.
| Compound Name | 1-[1-[[5-fluoro-3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxy-5-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone;1-(2-fluorophenyl)-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-2-one;3-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone |
|---|---|
| PubChem CID | 159511619 |
| Molecular Formula | C133H165F11N18O12 |
| Molecular Weight | 2416.87 g/mol |
| Exact Mass | 2415.27 |
| IUPAC Name | 1-[1-[[5-fluoro-3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxy-5-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone;1-(2-fluorophenyl)-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-2-one;3-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone |
| SMILES | CC(C)(C)Oc1nc(F)cnc1CN1CCC(C(=O)Cc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)CCc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C)(C(=O)Cc2ccccc2C(F)(F)F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CC(=O)Cc2ccccc2F)CC1.COc1nc(C)cnc1CN1CCC(C(=O)Cc2ccccc2F)CC1.COc1nccnc1C(C)N1CCC(C(=O)Cc2ccccc2C(F)(F)F)CC1 |
| InChI | InChI=1S/C24H30F3N3O2.2C23H30FN3O2.C22H27F2N3O2.C21H24F3N3O2.C20H24FN3O2/c1-22(2,3)32-21-19(28-11-12-29-21)16-30-13-9-23(4,10-14-30)20(31)15-17-7-5-6-8-18(17)24(25,26)27;1-23(2,3)29-22-21(25-10-11-26-22)16-27-12-8-17(9-13-27)14-19(28)15-18-6-4-5-7-20(18)24;1-23(2,3)29-22-20(25-12-13-26-22)16-27-14-10-18(11-15-27)21(28)9-8-17-6-4-5-7-19(17)24;1-22(2,3)29-21-18(25-13-20(24)26-21)14-27-10-8-15(9-11-27)19(28)12-16-6-4-5-7-17(16)23;1-14(19-20(29-2)26-10-9-25-19)27-11-7-15(8-12-27)18(28)13-16-5-3-4-6-17(16)21(22,23)24;1-14-12-22-18(20(23-14)26-2)13-24-9-7-15(8-10-24)19(25)11-16-5-3-4-6-17(16)21/h5-8,11-12H,9-10,13-16H2,1-4H3;4-7,10-11,17H,8-9,12-16H2,1-3H3;4-7,12-13,18H,8-11,14-16H2,1-3H3;4-7,13,15H,8-12,14H2,1-3H3;3-6,9-10,14-15H,7-8,11-13H2,1-2H3;3-6,12,15H,7-11,13H2,1-2H3 |
| InChIKey | MARFQOPQNDOFLU-UHFFFAOYSA-N |
| XLogP | 24.50 |
| TPSA | 331.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 174 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2416.87 |
| LogP ≤ 5 | 24.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |