methyl 4-[5-nitro-6-oxo-1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-nitro-6-oxo-1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
methyl 4-[5-nitro-6-oxo-1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
Compound characteristics
| Compound ID: | 8020-7203 |
| Compound Name: | methyl 4-[5-nitro-6-oxo-1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate |
| Molecular Weight: | 358.35 |
| Molecular Formula: | C17 H18 N4 O5 |
| Smiles: | CC(C)n1c2c(cn1)C(C(C(N2)=O)[N+]([O-])=O)c1ccc(cc1)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8299 |
| logD: | -0.8718 |
| logSw: | -2.124 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.526 |
| InChI Key: | VLWLYMRUWOVZSN-UHFFFAOYSA-N |