3-(2-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-(2-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
3-(2-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
Compound ID: | S565-0753 |
Compound Name: | 3-(2-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one |
Molecular Weight: | 421.46 |
Molecular Formula: | C21 H23 N7 O3 |
Smiles: | CC(C)n1cnnc1c1c2CN(CCc2n(C)n1)C(CN1C(=O)Oc2ccccc12)=O |
Stereo: | ACHIRAL |
logP: | 0.6525 |
logD: | 0.6009 |
logSw: | -1.5605 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 79.286 |
InChI Key: | JNIKGABBOYOFFC-UHFFFAOYSA-N |