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Search term: OTJPVMSGEHNVNV-NRFANRHFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{3-[6-(1-Methyl-1H-pyrazol-4-yl)-3,4-dihydro-1(2H)-quinolinyl]-1-[(3S)-tetrahydro-3-furanyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethanone | C25H30N6O2

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

  • Molecular FormulaC25H30N6O2
  • Average mass446.545 Da
  • Monoisotopic mass446.243011 Da
  • ChemSpider ID76793520

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{3-[6-(1-Methyl-1H-pyrazol-4-yl)-3,4-dihydro-1(2H)-chinolinyl]-1-[(3S)-tetrahydro-3-furanyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethanon [German] [ACD/IUPAC Name]
1-{3-[6-(1-Méthyl-1H-pyrazol-4-yl)-3,4-dihydro-1(2H)-quinoléinyl]-1-[(3S)-tétrahydro-3-furanyl]-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}éthanone [French] [ACD/IUPAC Name]
1-{3-[6-(1-Methyl-1H-pyrazol-4-yl)-3,4-dihydro-1(2H)-quinolinyl]-1-[(3S)-tetrahydro-3-furanyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethanone [ACD/IUPAC Name]
Ethanone, 1-[3-[3,4-dihydro-6-(1-methyl-1H-pyrazol-4-yl)-1(2H)-quinolinyl]-1,4,6,7-tetrahydro-1-[(3S)-tetrahydro-3-furanyl]-5H-pyrazolo[4,3-c]pyridin-5-yl]- [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: 755.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.5±32.9 °C
Index of Refraction: 1.724
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.20
ACD/KOC (pH 5.5): 360.36
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.22
ACD/KOC (pH 7.4): 360.59
Polar Surface Area: 68 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 318.2±7.0 cm3

Click to predict properties on the Chemicalize site


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