1-{4-[rel-(3R,4S)-3-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-4-(pyridin-3-yl)pyrrolidin-1-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4S)-3-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-4-(pyridin-3-yl)pyrrolidin-1-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4S)-3-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-4-(pyridin-3-yl)pyrrolidin-1-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | SB56-0752 |
| Compound Name: | 1-{4-[rel-(3R,4S)-3-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-4-(pyridin-3-yl)pyrrolidin-1-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 419.49 |
| Molecular Formula: | C22 H25 N7 O2 |
| Smiles: | CC(N1CCC(CC1)N1C[C@@H](c2nc(c3cnccn3)no2)[C@@H](C1)c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3412 |
| logD: | -1.6838 |
| logSw: | -1.7159 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.17 |
| InChI Key: | XKCIIMBBJAMNLO-RBUKOAKNSA-N |