N-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]isoquinoline-1-carboxamide
N-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | S346-0051 |
| Compound Name: | N-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]isoquinoline-1-carboxamide |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C22 H19 N5 O |
| Smiles: | C1CCn2c(C1)nnc2c1ccc(cc1)NC(c1c2ccccc2ccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1042 |
| logD: | 3.1031 |
| logSw: | -3.2012 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.569 |
| InChI Key: | MDRHEQDRDDRNER-UHFFFAOYSA-N |