1-(4-bromophenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(4-bromophenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4-bromophenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1176 |
| Compound Name: | 1-(4-bromophenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 458.29 |
| Molecular Formula: | C21 H17 Br F N3 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc(cc2)[Br])n1)=O)C(c1ccc(c(c1)F)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6927 |
| logD: | 3.6845 |
| logSw: | -4.152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.46 |
| InChI Key: | DMRKBWJHIKXYQJ-HNNXBMFYSA-N |