methyl 3-{[4-hydroxy-1-(3-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-hydroxy-1-(3-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]amino}benzoate
methyl 3-{[4-hydroxy-1-(3-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P684-3897 |
| Compound Name: | methyl 3-{[4-hydroxy-1-(3-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: | Cc1cccc(c1)n1c2c(cn1)C(=C(C(Nc1cccc(c1)C(=O)OC)=O)C(N2)=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.1865 |
| logD: | -3.5632 |
| logSw: | -3.3329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.403 |
| InChI Key: | RKIPKMXBFADDTK-UHFFFAOYSA-N |