1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methoxyethan-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-methoxyethan-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-methoxyethan-1-one
Compound characteristics
| Compound ID: | V025-8732 |
| 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-methoxyethan-1-one |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C27 H29 F N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6209 |
| logD: | 3.5191 |
| logSw: | -3.9205 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.649 |
| InChI Key: | DXDZLOFJNNYSMD-UHFFFAOYSA-N |