1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-methoxyphenyl)ethan-1-one
1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V007-8700 |
| Compound Name: | 1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 530.65 |
| Molecular Formula: | C30 H35 F N6 O2 |
| Salt: | not_available |
| Smiles: | CCCC(C)c1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCN(CC1)C(Cc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7784 |
| logD: | 5.1576 |
| logSw: | -5.8126 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.448 |
| InChI Key: | UMMRKTGOXUQUAP-FQEVSTJZSA-N |