ChemSpider 2D Image | (4R)-4-(3-Isopropoxy-4-methoxyphenyl)-3-methyl-1-(9H-purin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one | C22H23N7O3

(4R)-4-(3-Isopropoxy-4-methoxyphenyl)-3-methyl-1-(9H-purin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one

  • Molecular FormulaC22H23N7O3
  • Average mass433.463 Da
  • Monoisotopic mass433.186249 Da
  • ChemSpider ID62365899

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-(3-Isopropoxy-4-methoxyphenyl)-3-methyl-1-(9H-purin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-on [German] [ACD/IUPAC Name]
(4R)-4-(3-Isopropoxy-4-methoxyphenyl)-3-methyl-1-(9H-purin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [ACD/IUPAC Name]
(4R)-4-(3-Isopropoxy-4-méthoxyphényl)-3-méthyl-1-(9H-purin-6-yl)-1,4,5,7-tétrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [French] [ACD/IUPAC Name]
6H-Pyrazolo[3,4-b]pyridin-6-one, 1,4,5,7-tetrahydro-4-[4-methoxy-3-(1-methylethoxy)phenyl]-3-methyl-1-(9H-purin-6-yl)-, (4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 712.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.8±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.19
ACD/KOC (pH 5.5): 720.33
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 39.95
ACD/KOC (pH 7.4): 415.90
Polar Surface Area: 120 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 289.7±7.0 cm3

Click to predict properties on the Chemicalize site


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