ChemSpider 2D Image | 3,7-Bis(4-methoxy-1-methyl-1H-1,2,3-triazol-5-yl)-5-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[2',3':4,5]pyrrolo[2,3-b]pyridine | C30H31N9O3

3,7-Bis(4-methoxy-1-methyl-1H-1,2,3-triazol-5-yl)-5-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[2',3':4,5]pyrrolo[2,3-b]pyridine

  • Molecular FormulaC30H31N9O3
  • Average mass565.626 Da
  • Monoisotopic mass565.255005 Da
  • ChemSpider ID129022466

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,7-Bis(4-methoxy-1-methyl-1H-1,2,3-triazol-5-yl)-5-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[2',3':4,5]pyrrolo[2,3-b]pyridin [German] [ACD/IUPAC Name]
3,7-Bis(4-methoxy-1-methyl-1H-1,2,3-triazol-5-yl)-5-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[2',3':4,5]pyrrolo[2,3-b]pyridine [ACD/IUPAC Name]
3,7-Bis(4-méthoxy-1-méthyl-1H-1,2,3-triazol-5-yl)-5-[(S)-phényl(tétrahydro-2H-pyran-4-yl)méthyl]-5H-pyrido[2',3':4,5]pyrrolo[2,3-b]pyridine [French] [ACD/IUPAC Name]
5H-Pyrrolo[2,3-b:4,5-b']dipyridine, 3,7-bis(4-methoxy-1-methyl-1H-1,2,3-triazol-5-yl)-5-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]- [ACD/Index 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: 742.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 403.1±35.7 °C
Index of Refraction: 1.732
Molar Refractivity: 156.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.29
ACD/KOC (pH 5.5): 437.01
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.30
ACD/KOC (pH 7.4): 437.12
Polar Surface Area: 120 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 391.6±7.0 cm3

Click to predict properties on the Chemicalize site


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