2-ethyl-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
Chemical Structure Depiction of
2-ethyl-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
2-ethyl-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
Compound characteristics
| Compound ID: | V020-2265 |
| Compound Name: | 2-ethyl-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one |
| Molecular Weight: | 522.71 |
| Molecular Formula: | C30 H43 F N6 O |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(C(C)CCC)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.2918 |
| logD: | 6.6709 |
| logSw: | -5.9625 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.034 |
| InChI Key: | ZRWVUOZKRIQQFO-UHFFFAOYSA-N |