2-{4-[3-amino-2-benzyl-4-(3-fluorophenyl)-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-2-benzyl-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one
2-{4-[3-amino-2-benzyl-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V022-4120 |
| Compound Name: | 2-{4-[3-amino-2-benzyl-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 530.61 |
| Molecular Formula: | C28 H31 F N8 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC(N1CCOCC1)=O)c1nc(c2cccc(c2)F)c2c(n1)nn(Cc1ccccc1)c2N |
| Stereo: | ACHIRAL |
| logP: | 2.5549 |
| logD: | 2.5529 |
| logSw: | -2.947 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.526 |
| InChI Key: | VMRNWRIMEHKGED-UHFFFAOYSA-N |