1-tert-butyl-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one
Chemical Structure Depiction of
1-tert-butyl-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one
1-tert-butyl-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one
Compound characteristics
| Compound ID: | 8020-4917 |
| Compound Name: | 1-tert-butyl-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one |
| Molecular Weight: | 519.56 |
| Molecular Formula: | C27 H29 N5 O6 |
| Smiles: | CC(C)(C)n1c2c(cn1)C(C1C(NC(N1c1cccc(c1)OC)=O)=N2)c1cc(c2c(c1OC)OCO2)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9766 |
| logD: | 3.9762 |
| logSw: | -4.0725 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.165 |
| InChI Key: | JFGBWGLAHCWFMV-UHFFFAOYSA-N |