C132H170ClF5N18O12S — CID 160587834
1-(3-chlorothiophen-2-yl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,5-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,6-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(3-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-methylphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(3-methylphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone (PubChem CID 160587834) has the molecular formula C132H170ClF5N18O12S and a molecular weight of 2363.44 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,5-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,6-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(3-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-methylphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(3-methylphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone.
| Compound Name | 1-(3-chlorothiophen-2-yl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,5-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,6-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(3-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-methylphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(3-methylphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone |
|---|---|
| PubChem CID | 160587834 |
| Molecular Formula | C132H170ClF5N18O12S |
| Molecular Weight | 2363.44 g/mol |
| Exact Mass | 2361.26 |
| IUPAC Name | 1-(3-chlorothiophen-2-yl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,5-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,6-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(3-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-methylphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(3-methylphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone |
| SMILES | CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2c(F)cccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cc(F)ccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccc(F)c2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CC(=O)c2sccc2Cl)CC1.Cc1cccc(CC(=O)C2CCN(Cc3nccnc3OC(C)(C)C)CC2)c1.Cc1ccccc1CC(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1 |
| InChI | InChI=1S/2C23H31N3O2.2C22H27F2N3O2.C22H28FN3O2.C20H26ClN3O2S/c1-17-6-5-7-18(14-17)15-21(27)19-8-12-26(13-9-19)16-20-22(25-11-10-24-20)28-23(2,3)4;1-17-7-5-6-8-19(17)15-21(27)18-9-13-26(14-10-18)16-20-22(25-12-11-24-20)28-23(2,3)4;1-22(2,3)29-21-19(25-8-9-26-21)14-27-10-6-15(7-11-27)20(28)13-16-12-17(23)4-5-18(16)24;1-22(2,3)29-21-19(25-9-10-26-21)14-27-11-7-15(8-12-27)20(28)13-16-17(23)5-4-6-18(16)24;1-22(2,3)28-21-19(24-9-10-25-21)15-26-11-7-17(8-12-26)20(27)14-16-5-4-6-18(23)13-16;1-20(2,3)26-19-16(22-7-8-23-19)13-24-9-4-14(5-10-24)12-17(25)18-15(21)6-11-27-18/h5-7,10-11,14,19H,8-9,12-13,15-16H2,1-4H3;5-8,11-12,18H,9-10,13-16H2,1-4H3;4-5,8-9,12,15H,6-7,10-11,13-14H2,1-3H3;4-6,9-10,15H,7-8,11-14H2,1-3H3;4-6,9-10,13,17H,7-8,11-12,14-15H2,1-3H3;6-8,11,14H,4-5,9-10,12-13H2,1-3H3 |
| InChIKey | RCPSFOZHERWTSG-UHFFFAOYSA-N |
| XLogP | 24.55 |
| TPSA | 331.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 169 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2363.44 |
| LogP ≤ 5 | 24.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |