4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide
Chemical Structure Depiction of
4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide
4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | G284-2226 |
| Compound Name: | 4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C29 H29 N5 O2 |
| Smiles: | CCOc1ccc(CNC(c2ccc(Cn3c4c(c(C)cc(C)n4)c(n3)n3cccc3)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0085 |
| logD: | 4.9839 |
| logSw: | -4.7615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.183 |
| InChI Key: | CMMXAZQPRHGTBT-UHFFFAOYSA-N |