1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
Chemical Structure Depiction of
1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | S565-1350 |
| Compound Name: | 1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione |
| Molecular Weight: | 462.51 |
| Molecular Formula: | C23 H26 N8 O3 |
| Smiles: | CCn1cnnc1c1c2CN(CCc2n(C)n1)C(CCC(N1CC(Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4705 |
| logD: | -0.4884 |
| logSw: | -1.963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.011 |
| InChI Key: | LDMSCZXERUOSRW-UHFFFAOYSA-N |