ChemSpider 2D Image | 1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-2-methyl-1-propanone | C35H43N5O

1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-2-methyl-1-propanone

  • Molecular FormulaC35H43N5O
  • Average mass549.749 Da
  • Monoisotopic mass549.346741 Da
  • ChemSpider ID7983347
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






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

1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-2-methyl-1-propanon [German] [ACD/IUPAC Name]
1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-2-methyl-1-propanone [ACD/IUPAC Name]
1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-diméthylphényl)-3-[(2S)-1-{[2-(4-pyridinyl)éthyl]amino}-2-propanyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(7-azabicyclo[2.2.1]hept-7-yl)-2-[2-(3,5-dimethylphenyl)-3-[(1S)-1-methyl-2-[[2-(4-pyridinyl)ethyl]amino]ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 765.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.6±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 166.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 11.15
ACD/KOC (pH 5.5): 22.56
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 271.92
ACD/KOC (pH 7.4): 549.96
Polar Surface Area: 74 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 471.4±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement