C146H190F18N26O7 — CID 158391324
3-methyl-5-[1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;2-methyl-5-[1-[2-(oxan-4-yl)ethyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(oxan-4-ylmethyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine;4-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclohexan-1-ol;4-[2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine (PubChem CID 158391324) has the molecular formula C146H190F18N26O7 and a molecular weight of 2763.26 g/mol. Its IUPAC name is 3-methyl-5-[1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;2-methyl-5-[1-[2-(oxan-4-yl)ethyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(oxan-4-ylmethyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine;4-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclohexan-1-ol;4-[2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine.
| Compound Name | 3-methyl-5-[1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;2-methyl-5-[1-[2-(oxan-4-yl)ethyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(oxan-4-ylmethyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine;4-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclohexan-1-ol;4-[2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine |
|---|---|
| PubChem CID | 158391324 |
| Molecular Formula | C146H190F18N26O7 |
| Molecular Weight | 2763.26 g/mol |
| Exact Mass | 2761.50 |
| IUPAC Name | 3-methyl-5-[1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;2-methyl-5-[1-[2-(oxan-4-yl)ethyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(oxan-4-ylmethyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine;4-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclohexan-1-ol;4-[2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine |
| SMILES | Cc1cc(-c2cn(C3CC4(CC(N5CCOCC5)C4)C3)c(C(C)C)n2)cnc1N.Cc1ncc(-c2cn(C3CC(N4CCOCC4)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC4(CC(N5CCOCC5)C4)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CCC(O)CC3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CCN(C4COC4)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(CC3CCOCC3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(CCC3CCOCC3)c(C(C)C)n2)cc1C(F)(F)F |
| InChI | InChI=1S/C24H31F3N4O.C23H33N5O.C21H27F3N4O.C20H25F3N4O.C20H26F3N3O.2C19H24F3N3O/c1-15(2)22-29-21(17-8-20(24(25,26)27)16(3)28-13-17)14-31(22)19-11-23(12-19)9-18(10-23)30-4-6-32-7-5-30;1-15(2)22-26-20(17-8-16(3)21(24)25-13-17)14-28(22)19-11-23(12-19)9-18(10-23)27-4-6-29-7-5-27;1-13(2)20-26-19(15-8-18(21(22,23)24)14(3)25-11-15)12-28(20)17-9-16(10-17)27-4-6-29-7-5-27;1-12(2)19-25-18(14-6-17(20(21,22)23)13(3)24-7-14)9-27(19)15-4-5-26(8-15)16-10-28-11-16;1-13(2)19-25-18(12-26(19)7-4-15-5-8-27-9-6-15)16-10-17(20(21,22)23)14(3)24-11-16;1-12(2)18-24-17(11-25(18)10-14-4-6-26-7-5-14)15-8-16(19(20,21)22)13(3)23-9-15;1-11(2)18-24-17(10-25(18)14-4-6-15(26)7-5-14)13-8-16(19(20,21)22)12(3)23-9-13/h8,13-15,18-19H,4-7,9-12H2,1-3H3;8,13-15,18-19H,4-7,9-12H2,1-3H3,(H2,24,25);8,11-13,16-17H,4-7,9-10H2,1-3H3;6-7,9,12,15-16H,4-5,8,10-11H2,1-3H3;10-13,15H,4-9H2,1-3H3;8-9,11-12,14H,4-7,10H2,1-3H3;8-11,14-15,26H,4-7H2,1-3H3 |
| InChIKey | GWZOYXHMXXYSPT-UHFFFAOYSA-N |
| XLogP | 32.37 |
| TPSA | 329.56 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 197 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2763.26 |
| LogP ≤ 5 | 32.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 33 |