1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(benzyloxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(benzyloxy)ethan-1-one
1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(benzyloxy)ethan-1-one
Compound characteristics
| Compound ID: | V005-2957 |
| Compound Name: | 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(benzyloxy)ethan-1-one |
| Molecular Weight: | 564.66 |
| Molecular Formula: | C33 H33 F N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)C(COCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2841 |
| logD: | 5.1824 |
| logSw: | -5.3132 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.388 |
| InChI Key: | VMQRFYVSAIQTRQ-UHFFFAOYSA-N |