ChemSpider 2D Image | 2-{[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}-N-(5-methyl-2-pyridinyl)acetamide | C23H28N8O4

2-{[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}-N-(5-methyl-2-pyridinyl)acetamide

  • Molecular FormulaC23H28N8O4
  • Average mass480.520 Da
  • Monoisotopic mass480.223358 Da
  • ChemSpider ID23129823

More details:

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

2-{[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}-N-(5-methyl-2-pyridinyl)acetamid [German] [ACD/IUPAC Name]
2-{[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}-N-(5-methyl-2-pyridinyl)acetamide [ACD/IUPAC Name]
2-{[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tétrahydro-1H-purin-8-yl)-1-méthyl-1H-pyrazol-3-yl]oxy}-N-(5-méthyl-2-pyridinyl)acétamide [French] [ACD/IUPAC Name]
2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}-N-(5-methylpyridin-2-yl)acetamide
Acetamide, N-(5-methyl-2-pyridinyl)-2-[[1-methyl-5-(2,3,6,9-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-1H-pyrazol-3-yl]oxy]- [ACD/Index Name]
2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-N-(3-methyl-1,4-dihydro-pyridin-4-yl)-acetamide
CHEMBL433235
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL433235/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 128.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.88
ACD/KOC (pH 5.5): 663.29
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 38.42
ACD/KOC (pH 7.4): 411.86
Polar Surface Area: 138 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 339.1±7.0 cm3

Click to predict properties on the Chemicalize site


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