1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8019-3401 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 392.37 |
| Molecular Formula: | C20 H16 N4 O5 |
| Smiles: | C1C(c2cccc(c2)[N+]([O-])=O)c2cnn(Cc3ccc4c(c3)OCO4)c2NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8087 |
| logD: | 2.8086 |
| logSw: | -3.1579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.099 |
| InChI Key: | QTEFKPLDRYBVCM-OAHLLOKOSA-N |