C108H120F24N24O9 — CID 158914787
(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol (PubChem CID 158914787) has the molecular formula C108H120F24N24O9 and a molecular weight of 2354.26 g/mol. Its IUPAC name is (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol.
| Compound Name | (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol |
|---|---|
| PubChem CID | 158914787 |
| Molecular Formula | C108H120F24N24O9 |
| Molecular Weight | 2354.26 g/mol |
| Exact Mass | 2352.93 |
| IUPAC Name | (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol |
| SMILES | CC(C)C(O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2.CC(C)C(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(F)(C1)C2.CC(C)[C@@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2.CC(C)[C@@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(F)(C1)C2.CC(C)[C@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2.CC(C)[C@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(F)(C1)C2 |
| InChI | InChI=1S/3C18H20F4N4O2.3C18H20F4N4O/c3*1-9(2)13(27)15-25-11(5-26(15)17-6-16(19,7-17)8-17)10-3-12(14(23)24-4-10)28-18(20,21)22;3*1-9(2)13(27)15-25-12(5-26(15)17-6-16(19,7-17)8-17)10-3-11(18(20,21)22)14(23)24-4-10/h3*3-5,9,13,27H,6-8H2,1-2H3,(H2,23,24);3*3-5,9,13,27H,6-8H2,1-2H3,(H2,23,24)/t2*13-,16?,17?;;2*13-,16?,17?;/m10.10./s1 |
| InChIKey | JHCFSSOYOODXTK-NLTGFSJVSA-N |
| XLogP | 22.66 |
| TPSA | 489.45 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2354.26 |
| LogP ≤ 5 | 22.66 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 33 |