2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P032-2483 |
| Compound Name: | 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C23 H22 F N7 O2 |
| Smiles: | CC1=NC(=CC2=NN(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C(N12)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 1.7435 |
| logD: | 1.7351 |
| logSw: | -1.9662 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.69 |
| InChI Key: | DCXIYAJGLUUGPM-UHFFFAOYSA-N |