{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclopropyl)methanone
Chemical Structure Depiction of
{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclopropyl)methanone
{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclopropyl)methanone
Compound characteristics
| Compound ID: | V016-7586 |
| Compound Name: | {4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclopropyl)methanone |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C25 H31 F N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7934 |
| logD: | 4.2477 |
| logSw: | -4.7974 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.276 |
| InChI Key: | LBCJOJMIOPPDJK-UHFFFAOYSA-N |