1-{4-[6-cyclopropyl-1-(4-methoxyphenyl)-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-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methoxyethan-1-one
1-{4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | V026-9645 |
| Compound Name: | 1-{4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C24 H30 N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(C3CC3)nc2n(c2ccc(cc2)OC)n1)N1CCCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8381 |
| logD: | 1.2012 |
| logSw: | -3.2635 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.726 |
| InChI Key: | FKKHNQVNMVUESA-UHFFFAOYSA-N |