ChemSpider 2D Image | (2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-[(7aR)-7aH-indol-3-yl]-2-propanamine | C23H21N5O

(2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-[(7aR)-7aH-indol-3-yl]-2-propanamine

  • Molecular FormulaC23H21N5O
  • Average mass383.446 Da
  • Monoisotopic mass383.174622 Da
  • ChemSpider ID26330346

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-[(7aR)-7aH-indol-3-yl]-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-[(7aR)-7aH-indol-3-yl]-2-propanamine [ACD/IUPAC Name]
(2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-[(7aR)-7aH-indol-3-yl]-2-propanamine [French] [ACD/IUPAC Name]
(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE
7aH-Indole-3-ethanamine, α-[[[5-(1H-indazol-5-yl)-3-pyridinyl]oxy]methyl]-, (αS,7aR)- [ACD/Index Name]
(2S)-1-[(7aR)-7aH-indol-3-yl]-3-{[5-(1H-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine
5-{5-[(2S)-3-[(7aR)-7aH-indol-3-yl]-2-aminopropoxy]pyridin-3-yl}-1H-indazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.8±32.9 °C
Index of Refraction: 1.719
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.95
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 24.30
ACD/KOC (pH 7.4): 304.74
Polar Surface Area: 89 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 282.2±7.0 cm3

Click to predict properties on the Chemicalize site


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