1-(4,6-dimethylpyrimidin-2-yl)-4-(2-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(4,6-dimethylpyrimidin-2-yl)-4-(2-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4,6-dimethylpyrimidin-2-yl)-4-(2-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0245 |
| Compound Name: | 1-(4,6-dimethylpyrimidin-2-yl)-4-(2-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C28 H28 F N5 O2 |
| Smiles: | CCOc1ccccc1C1CC(N(Cc2ccc(cc2)F)c2c1c(C)nn2c1nc(C)cc(C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9865 |
| logD: | 4.8404 |
| logSw: | -4.6116 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.093 |
| InChI Key: | VVUKGHIXIQALKX-QHCPKHFHSA-N |