1-{4-[(2S)-4,4-difluoro-2-{[(pyridin-3-yl)oxy]methyl}pyrrolidin-1-yl]piperidin-1-yl}-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2S)-4,4-difluoro-2-{[(pyridin-3-yl)oxy]methyl}pyrrolidin-1-yl]piperidin-1-yl}-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
1-{4-[(2S)-4,4-difluoro-2-{[(pyridin-3-yl)oxy]methyl}pyrrolidin-1-yl]piperidin-1-yl}-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | CM4582-6048 |
| Compound Name: | 1-{4-[(2S)-4,4-difluoro-2-{[(pyridin-3-yl)oxy]methyl}pyrrolidin-1-yl]piperidin-1-yl}-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 419.47 |
| Molecular Formula: | C21 H27 F2 N5 O2 |
| Smiles: | Cc1ccn(CC(N2CCC(CC2)N2CC(C[C@H]2COc2cccnc2)(F)F)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.3976 |
| logD: | 1.323 |
| logSw: | -1.0295 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.611 |
| InChI Key: | FAQDHDJGPCMRGV-GOSISDBHSA-N |