N-[(2-fluorophenyl)methyl]-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
N-[(2-fluorophenyl)methyl]-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | D494-0590 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C21 H20 F N7 O |
| Smiles: | Cc1cc(NCCC(NCc2ccccc2F)=O)n2c(n1)nc(c1cccnc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 1.9491 |
| logD: | 1.7955 |
| logSw: | -2.1894 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.993 |
| InChI Key: | PVFYGJKNYQYYAC-UHFFFAOYSA-N |