2-{4-[3-amino-4-(2H-1,3-benzodioxol-5-yl)-2-methyl-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-methyl-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-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V012-0153 |
| Compound Name: | 2-{4-[3-amino-4-(2H-1,3-benzodioxol-5-yl)-2-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 480.53 |
| Molecular Formula: | C23 H28 N8 O4 |
| Salt: | not_available |
| Smiles: | Cn1c(c2c(c3ccc4c(c3)OCO4)nc(nc2n1)N1CCN(CC1)CC(N1CCOCC1)=O)N |
| Stereo: | ACHIRAL |
| logP: | 0.7696 |
| logD: | 0.7676 |
| logSw: | -1.8346 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.2 |
| InChI Key: | DAOKOHZYLNWXCP-UHFFFAOYSA-N |