1-{3-[4-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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: | S565-1501 |
| Compound Name: | 1-{3-[4-(cyclopropylmethyl)-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: | 488.55 |
| Molecular Formula: | C25 H28 N8 O3 |
| Smiles: | Cn1c2CCN(Cc2c(c2nncn2CC2CC2)n1)C(CCC(N1CC(Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1385 |
| logD: | 0.1359 |
| logSw: | -2.0594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.537 |
| InChI Key: | VYOIQEPEVYRXGW-UHFFFAOYSA-N |