ChemSpider 2D Image | 6-(2-Hydroxy-2-methylpropoxy)-4-(6-{(1R,5S)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl}-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile | C29H31N7O3

6-(2-Hydroxy-2-methylpropoxy)-4-(6-{(1R,5S)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl}-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

  • Molecular FormulaC29H31N7O3
  • Average mass525.602 Da
  • Monoisotopic mass525.248840 Da
  • ChemSpider ID122905744

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6-(2-Hydroxy-2-methylpropoxy)-4-(6-{(1R,5S)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl}-3-pyridinyl)pyrazolo[1,5-a]pyridin-3-carbonitril [German] [ACD/IUPAC Name]
6-(2-Hydroxy-2-methylpropoxy)-4-(6-{(1R,5S)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl}-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile [ACD/IUPAC Name]
6-(2-Hydroxy-2-méthylpropoxy)-4-(6-{(1R,5S)-6-[(6-méthoxy-3-pyridinyl)méthyl]-3,6-diazabicyclo[3.1.1]hept-3-yl}-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyridine-3-carbonitrile, 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1R,5S)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl]-3-pyridinyl]- [ACD/Index Name]

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: 1.694
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 11.94
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 33.57
ACD/KOC (pH 7.4): 379.04
Polar Surface Area: 112 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 383.9±7.0 cm3

Click to predict properties on the Chemicalize site


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