1-(3-chlorophenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(3-chlorophenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1719 |
| Compound Name: | 1-(3-chlorophenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 413.83 |
| Molecular Formula: | C21 H17 Cl F N3 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2cccc(c2)[Cl])n1)=O)C(c1ccc(c(c1)OC)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.488 |
| logD: | 3.4763 |
| logSw: | -3.9849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.46 |
| InChI Key: | SSETYUGIVSNSOL-HNNXBMFYSA-N |