3-[({3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile
Chemical Structure Depiction of
3-[({3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile
3-[({3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | V028-4721 |
| Compound Name: | 3-[({3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile |
| Molecular Weight: | 483.48 |
| Molecular Formula: | C27 H19 F2 N5 O2 |
| Salt: | not_available |
| Smiles: | CC1=C(C(N2C=CC=C(C2=N1)OCc1cccc(C#N)c1)=O)c1cc(C)n(c2cc(ccc2F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9332 |
| logD: | 3.9299 |
| logSw: | -4.1359 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.624 |
| InChI Key: | OXJMEMSZLNLIRZ-UHFFFAOYSA-N |