ethyl 4-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
ethyl 4-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
Compound characteristics
| Compound ID: | V009-0054 |
| Compound Name: | ethyl 4-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C27 H35 F N6 O3 |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(CCC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3519 |
| logD: | 3.8061 |
| logSw: | -4.3663 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.656 |
| InChI Key: | UZCRKLJMPOQVQP-UHFFFAOYSA-N |