6-methyl-4-{4-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-methyl-4-{4-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutyl}-2H-1,4-benzoxazin-3(4H)-one
6-methyl-4-{4-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | S565-1257 |
| Compound Name: | 6-methyl-4-{4-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C23 H27 N7 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(N1CCc3c(C1)c(c1nncn1C)nn3C)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1071 |
| logD: | -0.1123 |
| logSw: | -1.6112 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.031 |
| InChI Key: | UGDLJMXPNXIBKW-UHFFFAOYSA-N |