3-(3-nitrophenyl)-6-[4-(propan-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Chemical Structure Depiction of
3-(3-nitrophenyl)-6-[4-(propan-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
3-(3-nitrophenyl)-6-[4-(propan-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Compound characteristics
| Compound ID: | E455-0497 |
| Compound Name: | 3-(3-nitrophenyl)-6-[4-(propan-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C22 H18 N4 O4 |
| Smiles: | CC(C)c1ccc(cc1)c1cc(C(O)=O)c2c(n1)n[nH]c2c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1116 |
| logD: | 1.3224 |
| logSw: | -5.7172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.674 |
| InChI Key: | XPBXFRYMKSHCGI-UHFFFAOYSA-N |