6-[4-(methoxycarbonyl)phenyl]-3-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Chemical Structure Depiction of
6-[4-(methoxycarbonyl)phenyl]-3-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
6-[4-(methoxycarbonyl)phenyl]-3-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Compound characteristics
| Compound ID: | E455-0301 |
| Compound Name: | 6-[4-(methoxycarbonyl)phenyl]-3-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| Molecular Weight: | 418.36 |
| Molecular Formula: | C21 H14 N4 O6 |
| Smiles: | COC(c1ccc(cc1)c1cc(C(O)=O)c2c(n1)n[nH]c2c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8697 |
| logD: | 0.0805 |
| logSw: | -4.6313 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.848 |
| InChI Key: | BYVNLKJBEWAANM-UHFFFAOYSA-N |