C130H146F23N25O3 — CID 158481243
5-(1-cyclopentyl-2-propan-2-ylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;5-[1-(3,3-difluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;2-methyl-5-[1-[1-(oxetan-3-yl)azetidin-3-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(oxetan-3-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[2-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridine;6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-2-(oxetan-3-yl)-2-azaspiro[3.3]heptane (PubChem CID 158481243) has the molecular formula C130H146F23N25O3 and a molecular weight of 2543.72 g/mol. Its IUPAC name is 5-(1-cyclopentyl-2-propan-2-ylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;5-[1-(3,3-difluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;2-methyl-5-[1-[1-(oxetan-3-yl)azetidin-3-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(oxetan-3-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[2-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridine;6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-2-(oxetan-3-yl)-2-azaspiro[3.3]heptane.
| Compound Name | 5-(1-cyclopentyl-2-propan-2-ylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;5-[1-(3,3-difluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;2-methyl-5-[1-[1-(oxetan-3-yl)azetidin-3-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(oxetan-3-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[2-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridine;6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-2-(oxetan-3-yl)-2-azaspiro[3.3]heptane |
|---|---|
| PubChem CID | 158481243 |
| Molecular Formula | C130H146F23N25O3 |
| Molecular Weight | 2543.72 g/mol |
| Exact Mass | 2542.17 |
| IUPAC Name | 5-(1-cyclopentyl-2-propan-2-ylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;5-[1-(3,3-difluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;2-methyl-5-[1-[1-(oxetan-3-yl)azetidin-3-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(oxetan-3-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[2-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridine;6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-2-(oxetan-3-yl)-2-azaspiro[3.3]heptane |
| SMILES | Cc1ncc(-c2cn(C3CC(F)(F)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC4(C3)CN(C3COC3)C4)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CCCC3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CN(C4COC4)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3COC3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(Cc3ccccn3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(Cc3cccnc3)c(C(C)C)n2)cc1C(F)(F)F |
| InChI | InChI=1S/C22H27F3N4O.C19H23F3N4O.2C19H19F3N4.C18H22F3N3.C17H18F5N3.C16H18F3N3O/c1-13(2)20-27-19(15-4-18(22(23,24)25)14(3)26-7-15)8-29(20)16-5-21(6-16)11-28(12-21)17-9-30-10-17;1-11(2)18-24-17(13-4-16(19(20,21)22)12(3)23-5-13)8-26(18)14-6-25(7-14)15-9-27-10-15;1-12(2)18-25-17(11-26(18)10-14-5-4-6-23-8-14)15-7-16(19(20,21)22)13(3)24-9-15;1-12(2)18-25-17(11-26(18)10-15-6-4-5-7-23-15)14-8-16(19(20,21)22)13(3)24-9-14;1-11(2)17-23-16(10-24(17)14-6-4-5-7-14)13-8-15(18(19,20)21)12(3)22-9-13;1-9(2)15-24-14(8-25(15)12-5-16(18,19)6-12)11-4-13(17(20,21)22)10(3)23-7-11;1-9(2)15-21-14(6-22(15)12-7-23-8-12)11-4-13(16(17,18)19)10(3)20-5-11/h4,7-8,13,16-17H,5-6,9-12H2,1-3H3;4-5,8,11,14-15H,6-7,9-10H2,1-3H3;2*4-9,11-12H,10H2,1-3H3;8-11,14H,4-7H2,1-3H3;4,7-9,12H,5-6H2,1-3H3;4-6,9,12H,7-8H2,1-3H3 |
| InChIKey | HHNUBFQZFZNYEY-UHFFFAOYSA-N |
| XLogP | 32.60 |
| TPSA | 274.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 181 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2543.72 |
| LogP ≤ 5 | 32.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |