ChemSpider 2D Image | 4-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-1-isopropyl-5-methyl-1,2,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridine-3,6-dione | C20H21N5O6

4-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-1-isopropyl-5-methyl-1,2,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridine-3,6-dione

  • Molecular FormulaC20H21N5O6
  • Average mass427.411 Da
  • Monoisotopic mass427.149170 Da
  • ChemSpider ID28635497

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-1-isopropyl-5-methyl-1,2,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridin-3,6-dion [German] [ACD/IUPAC Name]
4-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-1-isopropyl-5-methyl-1,2,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridine-3,6-dione [ACD/IUPAC Name]
4-(6,7-Diméthoxy-1,3-benzodioxol-5-yl)-1-isopropyl-5-méthyl-1,2,5,7-tétrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridine-3,6-dione [French] [ACD/IUPAC Name]
Imidazo[4,5-b]pyrazolo[4,3-e]pyridine-3,6-dione, 4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,5,7-tetrahydro-5-methyl-1-(1-methylethyl)- [ACD/Index Name]
4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-5-methyl-1-(propan-2-yl)-1,2,5,7-tetrahydroimidazo[4,5-b]pyrazolo[4,3-e]pyridine-3,6-dione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 62.59
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.99
Polar Surface Area: 114 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 304.6±3.0 cm3

Click to predict properties on the Chemicalize site






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