ChemSpider 2D Image | 6-{3-Amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydro-1(2H)-isoquinolinone | C26H21N5O

6-{3-Amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydro-1(2H)-isoquinolinone

  • Molecular FormulaC26H21N5O
  • Average mass419.478 Da
  • Monoisotopic mass419.174622 Da
  • ChemSpider ID24649564

More details:

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

1(2H)-Isoquinolinone, 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl]-3,4-dihydro- [ACD/Index Name]
6-{3-Amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
6-{3-Amino-1-[3-(1H-indol-6-yl)phényl]-1H-pyrazol-4-yl}-3,4-dihydro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
6-{3-Amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydro-1(2H)-isoquinolinone [ACD/IUPAC Name]
6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one
LX9

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

Density: 1.4±0.1 g/cm3
Boiling Point: 827.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.2±34.3 °C
Index of Refraction: 1.761
Molar Refractivity: 123.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 379.96
ACD/KOC (pH 5.5): 2442.61
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 380.95
ACD/KOC (pH 7.4): 2448.98
Polar Surface Area: 89 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 298.7±7.0 cm3

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