1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methoxyethan-1-one
Chemical Structure Depiction of
1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methoxyethan-1-one
1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | V030-5099 |
| Compound Name: | 1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C27 H35 F N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(CC3CCCCC3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4898 |
| logD: | 3.7993 |
| logSw: | -4.5596 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.841 |
| InChI Key: | VNKIYPDBCHQBKT-UHFFFAOYSA-N |