4-[5-nitro-6-oxo-1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
Chemical Structure Depiction of
4-[5-nitro-6-oxo-1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
4-[5-nitro-6-oxo-1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 8020-7253 |
| Compound Name: | 4-[5-nitro-6-oxo-1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid |
| Molecular Weight: | 344.32 |
| Molecular Formula: | C16 H16 N4 O5 |
| Smiles: | CC(C)n1c2c(cn1)C(C(C(N2)=O)[N+]([O-])=O)c1ccc(cc1)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5874 |
| logD: | -1.3841 |
| logSw: | -1.9115 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.76 |
| InChI Key: | CIRHSIDKYAJGMZ-UHFFFAOYSA-N |