4-(3-bromo-4-fluorophenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(3-bromo-4-fluorophenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(3-bromo-4-fluorophenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8020-7213 |
| Compound Name: | 4-(3-bromo-4-fluorophenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 397.2 |
| Molecular Formula: | C15 H14 Br F N4 O3 |
| Smiles: | CC(C)n1c2c(cn1)C(C(C(N2)=O)[N+]([O-])=O)c1ccc(c(c1)[Br])F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3851 |
| logD: | -0.3166 |
| logSw: | -3.0489 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.352 |
| InChI Key: | YCYTWLGPHASAOL-UHFFFAOYSA-N |