methyl 2-[(1-butyl-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-butyl-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[(1-butyl-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0365 |
| Compound Name: | methyl 2-[(1-butyl-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C24 H30 N4 O3 S |
| Smiles: | CCCCn1c2c(c(cc(C)n2)C(Nc2c(C(=O)OC)c3CCCCCc3s2)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8682 |
| logD: | 1.1985 |
| logSw: | -4.8365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.865 |
| InChI Key: | MHGZBRUNSHWMSY-UHFFFAOYSA-N |