ChemSpider 2D Image | [3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-[1-(2-pyridyl)cyclopropyl]methanone | C21H22N4O

[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-[1-(2-pyridyl)cyclopropyl]methanone

  • Molecular FormulaC21H22N4O
  • Average mass346.426 Da
  • Monoisotopic mass346.179352 Da
  • ChemSpider ID28512730

More details:

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

[3-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidinyl][1-(2-pyridinyl)cyclopropyl]methanon [German] [ACD/IUPAC Name]
[3-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidinyl][1-(2-pyridinyl)cyclopropyl]methanone [ACD/IUPAC Name]
[3-(2-Méthyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidinyl][1-(2-pyridinyl)cyclopropyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidinyl][1-(2-pyridinyl)cyclopropyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 617.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.3±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 6.68
ACD/KOC (pH 5.5): 79.38
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.00
ACD/KOC (pH 7.4): 499.40
Polar Surface Area: 62 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 262.3±3.0 cm3

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