1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)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]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | V019-4726 |
| Compound Name: | 1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 520.67 |
| Molecular Formula: | C28 H33 F N6 O S |
| Salt: | not_available |
| Smiles: | CCCC(C)c1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6155 |
| logD: | 4.9947 |
| logSw: | -5.5463 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.253 |
| InChI Key: | UAUUPUMNVXMTRU-IBGZPJMESA-N |