methyl 3-{[1-(4-fluorophenyl)-4-hydroxy-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[1-(4-fluorophenyl)-4-hydroxy-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]amino}benzoate
methyl 3-{[1-(4-fluorophenyl)-4-hydroxy-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P684-3443 |
| Compound Name: | methyl 3-{[1-(4-fluorophenyl)-4-hydroxy-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 422.37 |
| Molecular Formula: | C21 H15 F N4 O5 |
| Smiles: | COC(c1cccc(c1)NC(C1=C(c2cnn(c3ccc(cc3)F)c2NC1=O)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7222 |
| logD: | -4.0275 |
| logSw: | -3.3502 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.403 |
| InChI Key: | NALCSPTXERMEFJ-UHFFFAOYSA-N |