3-[3-(pyridin-2-yl)-1H-pyrazole-5-carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-[3-(pyridin-2-yl)-1H-pyrazole-5-carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[3-(pyridin-2-yl)-1H-pyrazole-5-carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-5833 |
| Compound Name: | 3-[3-(pyridin-2-yl)-1H-pyrazole-5-carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 361.4 |
| Molecular Formula: | C20 H19 N5 O2 |
| Smiles: | C1[C@H]2CN(C[C@@H]1CN1C2=CC=CC1=O)C(c1cc(c2ccccn2)n[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0686 |
| logD: | 2.0682 |
| logSw: | -2.6979 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.123 |
| InChI Key: | CNZBLUGIDNMYQC-KBPBESRZSA-N |