ChemSpider 2D Image | Methyl 1-benzyl-3-[(cyclopropylcarbonyl)amino]-5-{[1-(ethoxycarbonyl)-4-piperidinyl]amino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C28H33N5O5

Methyl 1-benzyl-3-[(cyclopropylcarbonyl)amino]-5-{[1-(ethoxycarbonyl)-4-piperidinyl]amino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC28H33N5O5
  • Average mass519.592 Da
  • Monoisotopic mass519.248169 Da
  • ChemSpider ID22165444

More details:

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

1-Benzyl-3-[(cyclopropylcarbonyl)amino]-5-{[1-(éthoxycarbonyl)-4-pipéridinyl]amino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-[(cyclopropylcarbonyl)amino]-5-[[1-(ethoxycarbonyl)-4-piperidinyl]amino]-1-(phenylmethyl)-, methyl ester [ACD/Index Name]
Methyl 1-benzyl-3-[(cyclopropylcarbonyl)amino]-5-{[1-(ethoxycarbonyl)-4-piperidinyl]amino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-1-benzyl-3-[(cyclopropylcarbonyl)amino]-5-{[1-(ethoxycarbonyl)-4-piperidinyl]amino}-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: 779.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 425.2±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 140.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 661.18
ACD/KOC (pH 5.5): 3532.18
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 729.75
ACD/KOC (pH 7.4): 3898.51
Polar Surface Area: 115 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 378.9±7.0 cm3

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