3-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Chemical Structure Depiction of
3-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
3-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | V020-2218 |
| Compound Name: | 3-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 487.02 |
| Molecular Formula: | C25 H32 Cl F N6 O |
| Salt: | not_available |
| Smiles: | CCCC(C)c1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(CC[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9763 |
| logD: | 4.3555 |
| logSw: | -4.7433 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.506 |
| InChI Key: | QNODHRGTCWLHQE-KRWDZBQOSA-N |