methyl 1-ethyl-3-methyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-3-methyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
methyl 1-ethyl-3-methyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
Compound characteristics
| Compound ID: | Y501-0945 |
| Compound Name: | methyl 1-ethyl-3-methyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate |
| Molecular Weight: | 340.34 |
| Molecular Formula: | C17 H16 N4 O4 |
| Smiles: | CCn1c2c(c(cc(c3cccc(c3)[N+]([O-])=O)n2)C(=O)OC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4676 |
| logD: | 3.4675 |
| logSw: | -3.9835 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.778 |
| InChI Key: | ZFDWJOXDPCFCOV-UHFFFAOYSA-N |