ChemSpider 2D Image | (2S)-1-(6H-Indol-3-yl)-3-{[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy}-2-propanamine | C22H20N6O

(2S)-1-(6H-Indol-3-yl)-3-{[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy}-2-propanamine

  • Molecular FormulaC22H20N6O
  • Average mass384.434 Da
  • Monoisotopic mass384.169861 Da
  • ChemSpider ID25057277

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(6H-Indol-3-yl)-3-{[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy}-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-(6H-Indol-3-yl)-3-{[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy}-2-propanamine [ACD/IUPAC Name]
(2S)-1-(6H-Indol-3-yl)-3-{[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy}-2-propanamine [French] [ACD/IUPAC Name]
(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
6H-Indole-3-ethanamine, α-[[[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]methyl]-, (αS)- [ACD/Index Name]
(2S)-1-(6H-indol-3-yl)-3-[(5-{7H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propan-2-amine
3-[(2S)-2-amino-3-[(5-{7H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-6H-indole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 678.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.9±34.3 °C
Index of Refraction: 1.745
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.88
Polar Surface Area: 98 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 270.8±7.0 cm3

Click to predict properties on the Chemicalize site


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