AC1LLJ70
azepan-1-yl-[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: BAS 00923860|AG-219/37040027|azepan-1-yl-[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone|2-(1-azepanylcarbonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine|azepan-1-yl[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone|(Azepan-1-yl)[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone|azaperhydroepinyl 5-(4-fluorophenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a ]pyrimidin-2-yl) ketone
| Molecular Formula | C20H18F4N4O |
|---|---|
| Molecular Weight | 406.14166 g/mol |
| LogP | 4.5704 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.14166 |
| Monoisotopic Mass | 406.14166 |
| Heavy Atoms | 29 |
| Complexity | 1035.056 |
Chemical Identifiers
| CAS Number | 5641-33-8 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)F)C(F)(F)F |
Product Overview
AC1LLJ70 (CAS 5641-33-8), with molecular formula C20H18F4N4O and molecular weight 406.14166 g/mol. IUPAC: azepan-1-yl-[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.