N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide
N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | S551-0247 |
| Compound Name: | N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide |
| Molecular Weight: | 399.41 |
| Molecular Formula: | C21 H17 N7 O2 |
| Smiles: | CCc1nc(c2ccn3c(CNC(c4c5ccccc5ccn4)=O)nnc3c2)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.0507 |
| logD: | 2.0507 |
| logSw: | -2.9046 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.453 |
| InChI Key: | XHOMQGSYHSPMNC-UHFFFAOYSA-N |