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Search term: GJGSUFHIMBFZFP-MHZLTWQESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{3-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoro-2-pyridinyl)(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}-2-propanol | C29H30F2N6O2

2-{3-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoro-2-pyridinyl)(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}-2-propanol

  • Molecular FormulaC29H30F2N6O2
  • Average mass532.584 Da
  • Monoisotopic mass532.239807 Da
  • ChemSpider ID129248811

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{3-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluor-5-[(S)-(3-fluor-2-pyridinyl)(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}-2-propanol [German] [ACD/IUPAC Name]
2-{3-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoro-2-pyridinyl)(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}-2-propanol [ACD/IUPAC Name]
2-{3-(1,4-Diméthyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoro-2-pyridinyl)(tétrahydro-2H-pyran-4-yl)méthyl]-5H-pyrido[3,2-b]indol-7-yl}-2-propanol [French] [ACD/IUPAC Name]
5H-Pyrido[3,2-b]indole-7-methanol, 3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoro-2-pyridinyl)(tetrahydro-2H-pyran-4-yl)methyl]-α,α-dimethyl- [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: 676.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 363.0±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 142.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.16
ACD/KOC (pH 5.5): 890.88
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.75
ACD/KOC (pH 7.4): 924.86
Polar Surface Area: 91 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 379.5±7.0 cm3

Click to predict properties on the Chemicalize site


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