2-{4-[3-amino-4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{4-[3-amino-4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one
2-{4-[3-amino-4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V020-3250 |
| Compound Name: | 2-{4-[3-amino-4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 577.04 |
| Molecular Formula: | C28 H29 Cl N8 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC(N1CCOCC1)=O)c1nc(c2ccc3c(c2)OCO3)c2c(n1)nn(c1ccc(cc1)[Cl])c2N |
| Stereo: | ACHIRAL |
| logP: | 3.1286 |
| logD: | 3.1262 |
| logSw: | -3.5153 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.778 |
| InChI Key: | OOIFDNKCTLWHAG-UHFFFAOYSA-N |