N-{[8-(3-propyl-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-{[8-(3-propyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide
N-{[8-(3-propyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | S550-0140 |
| Compound Name: | N-{[8-(3-propyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide |
| Molecular Weight: | 413.44 |
| Molecular Formula: | C22 H19 N7 O2 |
| Smiles: | CCCc1nc(c2cccn3c(CNC(c4c5ccccc5ccn4)=O)nnc23)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.3225 |
| logD: | 2.3225 |
| logSw: | -2.9474 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.999 |
| InChI Key: | YMLCIIVQCCSJGA-UHFFFAOYSA-N |