ChemSpider 2D Image | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE | C25H22N4O

(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE

  • Molecular FormulaC25H22N4O
  • Average mass394.468 Da
  • Monoisotopic mass394.179352 Da
  • ChemSpider ID25057139

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE
(2S)-1-[(3R)-3H-Indol-3-yl]-3-{[5-(6-isochinolinyl)-3-pyridinyl]oxy}-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-[(3R)-3H-Indol-3-yl]-3-{[5-(6-isoquinoléinyl)-3-pyridinyl]oxy}-2-propanamine [French] [ACD/IUPAC Name]
(2S)-1-[(3R)-3H-Indol-3-yl]-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine [ACD/IUPAC Name]
3H-Indole-3-ethanamine, α-[[[5-(6-isoquinolinyl)-3-pyridinyl]oxy]methyl]-, (αS,3R)- [ACD/Index Name]
(2S)-1-[(3R)-3H-indol-3-yl]-3-{[5-(isoquinolin-6-yl)pyridin-3-yl]oxy}propan-2-amine
6-{5-[(2S)-2-amino-3-[(3R)-3H-indol-3-yl]propoxy]pyridin-3-yl}isoquinoline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 632.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.3±31.5 °C
Index of Refraction: 1.684
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 26.34
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 84.26
ACD/KOC (pH 7.4): 770.62
Polar Surface Area: 73 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 309.6±7.0 cm3

Click to predict properties on the Chemicalize site


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