methyl 2-{[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-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-{[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-2553 |
| Compound Name: | methyl 2-{[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 506.63 |
| Molecular Formula: | C26 H30 N6 O3 S |
| Smiles: | Cc1c(c2cc(C(Nc3c(C(=O)OC)c4CCCCCc4s3)=O)c3c(C)nn(C)c3n2)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3527 |
| logD: | 0.7135 |
| logSw: | -3.9692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.934 |
| InChI Key: | CANNGVVDLMGJMH-UHFFFAOYSA-N |