4-[({3-[1-(2,5-dimethylphenyl)-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
4-[({3-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile
4-[({3-[1-(2,5-dimethylphenyl)-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: | V003-2230 |
| Compound Name: | 4-[({3-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile |
| Molecular Weight: | 475.55 |
| Molecular Formula: | C29 H25 N5 O2 |
| Smiles: | CC1=C(C(N2C=CC=C(C2=N1)OCc1ccc(C#N)cc1)=O)c1cc(C)n(c2cc(C)ccc2C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7378 |
| logD: | 4.7346 |
| logSw: | -4.7196 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.624 |
| InChI Key: | MNJZMVWXGBGBBK-UHFFFAOYSA-N |