ChemSpider 2D Image | 5-{2-Methyl-4-[2-(methylsulfonyl)-4-pyrimidinyl]-1H-imidazol-5-yl}-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine | C22H18N6O4S2

5-{2-Methyl-4-[2-(methylsulfonyl)-4-pyrimidinyl]-1H-imidazol-5-yl}-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

  • Molecular FormulaC22H18N6O4S2
  • Average mass494.546 Da
  • Monoisotopic mass494.083099 Da
  • ChemSpider ID24540586

More details:

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

1H-Pyrrolo[2,3-b]pyridine, 5-[2-methyl-5-[2-(methylsulfonyl)-4-pyrimidinyl]-1H-imidazol-4-yl]-1-(phenylsulfonyl)- [ACD/Index Name]
5-{2-Methyl-4-[2-(methylsulfonyl)-4-pyrimidinyl]-1H-imidazol-5-yl}-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin [German] [ACD/IUPAC Name]
5-{2-Methyl-4-[2-(methylsulfonyl)-4-pyrimidinyl]-1H-imidazol-5-yl}-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine [ACD/IUPAC Name]
5-{2-Méthyl-4-[2-(méthylsulfonyl)-4-pyrimidinyl]-1H-imidazol-5-yl}-1-(phénylsulfonyl)-1H-pyrrolo[2,3-b]pyridine [French] [ACD/IUPAC Name]
5-(2-methyl-5-(2-(methylsulfonyl)pyrimidin-4-yl)-1H-imidazol-4-yl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
5-(2-METHYL-5-(2-(METHYLSULFONYL)PYRIMIDIN-4-YL)-1H-IMIDAZOL-4-YL)-1-(PHENYLSULFONYL)-1H-PYRROLO-[2,3-B]-PYRIDINE
5-{2-methyl-5-[2-(methylsulfonyl)pyrimidin-4-yl]imidazol-4-yl}-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 845.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 464.9±37.1 °C
Index of Refraction: 1.753
Molar Refractivity: 129.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.44
ACD/KOC (pH 5.5): 160.20
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.26
ACD/KOC (pH 7.4): 156.71
Polar Surface Area: 157 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 317.0±7.0 cm3

Click to predict properties on the Chemicalize site


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