1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-chloropropan-1-one
Chemical Structure Depiction of
1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-chloropropan-1-one
1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-chloropropan-1-one
Compound characteristics
| Compound ID: | V019-4635 |
| Compound Name: | 1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-chloropropan-1-one |
| Molecular Weight: | 472.99 |
| Molecular Formula: | C24 H30 Cl F N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(CC[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5445 |
| logD: | 3.9987 |
| logSw: | -4.5024 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.497 |
| InChI Key: | FTPVDIFKULHNPP-UHFFFAOYSA-N |