2-{[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | P573-7905 |
| Compound Name: | 2-{[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 431.43 |
| Molecular Formula: | C22 H18 F N7 O2 |
| Smiles: | CC1=CC(Nc2ccc(C)c(c2)F)=NC2=NN(CC3=CC(N4C=CC=CC4=N3)=O)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4659 |
| logD: | 2.4631 |
| logSw: | -2.8622 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.497 |
| InChI Key: | MBFOOFPPGKIRNS-UHFFFAOYSA-N |