1-(4-bromophenyl)-4-(4-fluorobenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(4-bromophenyl)-4-(4-fluorobenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4-bromophenyl)-4-(4-fluorobenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1188 |
| Compound Name: | 1-(4-bromophenyl)-4-(4-fluorobenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 428.26 |
| Molecular Formula: | C20 H15 Br F N3 O2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc(cc2)[Br])n1)=O)C(c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5372 |
| logD: | 3.5255 |
| logSw: | -3.7008 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.83 |
| InChI Key: | NIRSRZSPFNIPPB-INIZCTEOSA-N |