3-{2-(azepan-1-yl)-6,8-dimethyl-4-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a:3,4-d']dipyrimidin-7-yl}propanoic acid
Chemical Structure Depiction of
3-{2-(azepan-1-yl)-6,8-dimethyl-4-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a:3,4-d']dipyrimidin-7-yl}propanoic acid
3-{2-(azepan-1-yl)-6,8-dimethyl-4-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a:3,4-d']dipyrimidin-7-yl}propanoic acid
Compound characteristics
| Compound ID: | C282-0013 |
| Compound Name: | 3-{2-(azepan-1-yl)-6,8-dimethyl-4-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a:3,4-d']dipyrimidin-7-yl}propanoic acid |
| Molecular Weight: | 486.62 |
| Molecular Formula: | C28 H34 N6 O2 |
| Smiles: | CC(C)c1ccc(cc1)c1c2c(nc(n1)N1CCCCCC1)nn1c(C)c(CCC(O)=O)c(C)nc12 |
| Stereo: | ACHIRAL |
| logP: | 5.9694 |
| logD: | 3.1427 |
| logSw: | -5.552 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.744 |
| InChI Key: | DKQUHSMRFCTXHS-UHFFFAOYSA-N |