ChemSpider 2D Image | 6-Cyclopropyl-2-[3-(5-{[5-(4-ethyl-1-piperazinyl)-2-pyridinyl]amino}-1-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-2-(hydroxymethyl)phenyl]-8-fluoro-1(2H)-isoquinolinone | C36H37FN6O3

6-Cyclopropyl-2-[3-(5-{[5-(4-ethyl-1-piperazinyl)-2-pyridinyl]amino}-1-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-2-(hydroxymethyl)phenyl]-8-fluoro-1(2H)-isoquinolinone

  • Molecular FormulaC36H37FN6O3
  • Average mass620.716 Da
  • Monoisotopic mass620.291138 Da
  • ChemSpider ID35034952

More details:

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

1(2H)-Isoquinolinone, 6-cyclopropyl-2-[3-[5-[[5-(4-ethyl-1-piperazinyl)-2-pyridinyl]amino]-1,6-dihydro-1-methyl-6-oxo-3-pyridinyl]-2-(hydroxymethyl)phenyl]-8-fluoro- [ACD/Index Name]
6-Cyclopropyl-2-[3-(5-{[5-(4-ethyl-1-piperazinyl)-2-pyridinyl]amino}-1-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-2-(hydroxymethyl)phenyl]-8-fluor-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
6-Cyclopropyl-2-[3-(5-{[5-(4-éthyl-1-pipérazinyl)-2-pyridinyl]amino}-1-méthyl-6-oxo-1,6-dihydro-3-pyridinyl)-2-(hydroxyméthyl)phényl]-8-fluoro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
6-Cyclopropyl-2-[3-(5-{[5-(4-ethyl-1-piperazinyl)-2-pyridinyl]amino}-1-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-2-(hydroxymethyl)phenyl]-8-fluoro-1(2H)-isoquinolinone [ACD/IUPAC Name]
6-Cyclopropyl-2-[3-(5-{[5-(4-Ethylpiperazin-1-Yl)pyridin-2-Yl]amino}-1-Methyl-6-Oxo-1,6-Dihydropyridin-3-Yl)-2-(Hydroxymethyl)phenyl]-8-Fluoroisoquinolin-1(2h)-One
2V3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 872.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 481.6±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 173.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.52
ACD/KOC (pH 5.5): 20.08
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 134.57
ACD/KOC (pH 7.4): 1072.28
Polar Surface Area: 92 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 457.7±3.0 cm3

Click to predict properties on the Chemicalize site


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