ChemSpider 2D Image | Methyl 1-[2-(1H-indol-3-yl)ethyl]-3-[(3-methoxypropanoyl)amino]-5-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C28H33N5O5

Methyl 1-[2-(1H-indol-3-yl)ethyl]-3-[(3-methoxypropanoyl)amino]-5-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC28H33N5O5
  • Average mass519.592 Da
  • Monoisotopic mass519.248169 Da
  • ChemSpider ID22194350

More details:

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

1-[2-(1H-Indol-3-yl)éthyl]-3-[(3-méthoxypropanoyl)amino]-5-(tétrahydro-2H-pyran-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-[2-(1H-indol-3-yl)ethyl]-3-[(3-methoxy-1-oxopropyl)amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]-, methyl ester [ACD/Index Name]
Methyl 1-[2-(1H-indol-3-yl)ethyl]-3-[(3-methoxypropanoyl)amino]-5-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-1-[2-(1H-indol-3-yl)ethyl]-3-[(3-methoxypropanoyl)amino]-5-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 825.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 452.7±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 140.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 487.14
ACD/KOC (pH 5.5): 2851.03
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 529.49
ACD/KOC (pH 7.4): 3098.88
Polar Surface Area: 120 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 382.0±7.0 cm3

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