4-(3,4-dimethoxyphenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(3,4-dimethoxyphenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8020-7201 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 360.37 |
| Molecular Formula: | C17 H20 N4 O5 |
| Smiles: | CC(C)n1c2c(cn1)C(C(C(N2)=O)[N+]([O-])=O)c1ccc(c(c1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4071 |
| logD: | -1.2946 |
| logSw: | -2.1279 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.613 |
| InChI Key: | SQELQUHJHUVMQU-UHFFFAOYSA-N |