methyl 3-{[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E981-2471 |
| Compound Name: | methyl 3-{[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C24 H22 N4 O3 S |
| Smiles: | Cc1ccc(cc1)n1c2c(c(cc(C3CC3)n2)C(Nc2ccsc2C(=O)OC)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9372 |
| logD: | 4.2825 |
| logSw: | -4.8118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.471 |
| InChI Key: | XKBCXSQUOWDNCZ-UHFFFAOYSA-N |