3-[(6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-[(6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[(6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y044-4676 |
| Compound Name: | 3-[(6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C22 H20 N6 O3 |
| Smiles: | C1[C@H]2CN(C[C@@H]1CN1C2=CC=CC1=O)C(CN1C=CC2=C(C=Nc3ccnn23)C1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.4586 |
| logD: | 0.4586 |
| logSw: | -1.5429 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.401 |
| InChI Key: | XNWDMCVMMIHOIV-GJZGRUSLSA-N |