methyl 2-{[4-hydroxy-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-hydroxy-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]amino}benzoate
methyl 2-{[4-hydroxy-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P684-3548 |
| Compound Name: | methyl 2-{[4-hydroxy-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C22 H18 N4 O5 |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)C(=C(C(Nc1ccccc1C(=O)OC)=O)C(N2)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.7679 |
| logD: | -3.9817 |
| logSw: | -3.2616 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.705 |
| InChI Key: | IJOLBERABMHSAS-UHFFFAOYSA-N |