4-(2H-1,3-benzodioxol-5-yl)-1-tert-butyl-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1-tert-butyl-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one
4-(2H-1,3-benzodioxol-5-yl)-1-tert-butyl-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one
Compound characteristics
| Compound ID: | 8020-5317 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-tert-butyl-5-(3-methoxyphenyl)-4,4a,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-6(1H)-one |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C25 H25 N5 O4 |
| Smiles: | CC(C)(C)n1c2c(cn1)C(C1C(NC(N1c1cccc(c1)OC)=O)=N2)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4146 |
| logD: | 4.4141 |
| logSw: | -4.3221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.449 |
| InChI Key: | DNCCLDVZUFKAEB-UHFFFAOYSA-N |