5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0405 |
| Compound Name: | 5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C26 H30 F N7 O |
| Smiles: | CC(C)c1ccc(CNc2nc3NC(CN4CCN(CC4)c4ccc(cc4)F)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9183 |
| logD: | 3.5525 |
| logSw: | -3.9339 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.974 |
| InChI Key: | ARUUWHWZBZAPGS-UHFFFAOYSA-N |