1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | V011-0430 |
| Compound Name: | 1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C28 H31 F N6 O2 |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7165 |
| logD: | 4.2728 |
| logSw: | -4.6187 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.724 |
| InChI Key: | TUBRTYOYXKBYQL-UHFFFAOYSA-N |