methyl 3-{[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E981-1024 |
| Compound Name: | methyl 3-{[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | Cc1c(cccc1[Cl])n1c2c(c(cc(C)n2)C(Nc2ccsc2C(=O)OC)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5425 |
| logD: | 3.8877 |
| logSw: | -4.6276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.725 |
| InChI Key: | GZSUQFIZUNCLSU-UHFFFAOYSA-N |