3-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2,2-dimethylpropan-1-one
Chemical Structure Depiction of
3-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2,2-dimethylpropan-1-one
3-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2,2-dimethylpropan-1-one
Compound characteristics
| Compound ID: | V012-0351 |
| Compound Name: | 3-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2,2-dimethylpropan-1-one |
| Molecular Weight: | 487.02 |
| Molecular Formula: | C25 H32 Cl F N6 O |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(C(C)(C)C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3483 |
| logD: | 4.9045 |
| logSw: | -5.4344 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.024 |
| InChI Key: | GEBGTJHMQVSUIG-UHFFFAOYSA-N |