3,3-dimethyl-1-{4-[2-(pyridin-2-yl)-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]piperidin-1-yl}butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-{4-[2-(pyridin-2-yl)-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]piperidin-1-yl}butan-1-one
3,3-dimethyl-1-{4-[2-(pyridin-2-yl)-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]piperidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | T162-0041 |
| Compound Name: | 3,3-dimethyl-1-{4-[2-(pyridin-2-yl)-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]piperidin-1-yl}butan-1-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | CC(C)(C)CC(N1CCC(CC1)c1c2COCCc2nn1c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4724 |
| logD: | 3.2644 |
| logSw: | -3.3737 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.569 |
| InChI Key: | FHKVHOUFQFQCDA-UHFFFAOYSA-N |