4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide
Chemical Structure Depiction of
4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide
4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide
Compound characteristics
| Compound ID: | G284-2233 |
| Compound Name: | 4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide |
| Molecular Weight: | 495.65 |
| Molecular Formula: | C29 H29 N5 O S |
| Smiles: | Cc1cc(C)nc2c1c(nn2Cc1ccc(cc1)C(NCCc1ccc(cc1)SC)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2924 |
| logD: | 5.2677 |
| logSw: | -5.4392 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.901 |
| InChI Key: | CEXSJSLXYSOQOA-UHFFFAOYSA-N |