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Search term: LWXLECMNBTVASW-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{3-[7-(Difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydro-1(2H)-quinolinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethanone | C27H32F2N6O2

1-{3-[7-(Difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydro-1(2H)-quinolinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethanone

  • Molecular FormulaC27H32F2N6O2
  • Average mass510.579 Da
  • Monoisotopic mass510.255493 Da
  • ChemSpider ID65422426

More details:

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

1-{3-[7-(Difluormethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydro-1(2H)-chinolinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethanon [German] [ACD/IUPAC Name]
1-{3-[7-(Difluorométhyl)-6-(1-méthyl-1H-pyrazol-4-yl)-3,4-dihydro-1(2H)-quinoléinyl]-1-(tétrahydro-2H-pyran-4-yl)-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}éthanone [French] [ACD/IUPAC Name]
1-{3-[7-(Difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydro-1(2H)-quinolinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethanone [ACD/IUPAC Name]
Ethanone, 1-[3-[7-(difluoromethyl)-3,4-dihydro-6-(1-methyl-1H-pyrazol-4-yl)-1(2H)-quinolinyl]-1,4,6,7-tetrahydro-1-(tetrahydro-2H-pyran-4-yl)-5H-pyrazolo[4,3-c]pyridin-5-yl]- [ACD/Index Name]
1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinolin-1-yl]-1-(oxan-4-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
1936421-41-8 [RN]
GNE-049
MFCD31690434

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

Density: 1.4±0.1 g/cm3
Boiling Point: 788.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 430.5±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 135.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.51
ACD/KOC (pH 5.5): 616.86
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.52
ACD/KOC (pH 7.4): 617.04
Polar Surface Area: 68 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 356.0±7.0 cm3

Click to predict properties on the Chemicalize site


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