4-(2H-1,3-benzodioxol-5-yl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2H-1,3-benzodioxol-5-yl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8020-7202 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 344.32 |
| Molecular Formula: | C16 H16 N4 O5 |
| Smiles: | CC(C)n1c2c(cn1)C(C(C(N2)=O)[N+]([O-])=O)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7053 |
| logD: | -0.9964 |
| logSw: | -2.2483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.467 |
| InChI Key: | XHDOLJAXRBBBKL-UHFFFAOYSA-N |