ChemSpider 2D Image | 2-[4-(3-Piperidinyl)phenyl]-2H-indazole-7-carboxamide | C19H20N4O

2-[4-(3-Piperidinyl)phenyl]-2H-indazole-7-carboxamide

  • Molecular FormulaC19H20N4O
  • Average mass320.388 Da
  • Monoisotopic mass320.163696 Da
  • ChemSpider ID24671467

More details:

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

1038915-75-1 [RN]
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
2-[4-(3-Piperidinyl)phenyl]-2H-indazol-7-carboxamid [German] [ACD/IUPAC Name]
2-[4-(3-Piperidinyl)phenyl]-2H-indazole-7-carboxamide [ACD/IUPAC Name]
2-[4-(3-Pipéridinyl)phényl]-2H-indazole-7-carboxamide [French] [ACD/IUPAC Name]
2H-Indazole-7-carboxamide, 2-[4-(3-piperidinyl)phenyl]- [ACD/Index Name]
1038915-58-0 [RN]
1038915-64-8 [RN]
2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide
2-[4-(piperidin-3-yl)phenyl]-2h-indazole-7-carboxamide
More...
  • Miscellaneous

    • Chemical Class:

      A member of the class of indazoles that is 2H-indazole substituted by 4-(piperidin-3-yl)phenyl and aminocarbonyl groups at positions 2 and 7, respectively. It is a potent PARP1 inhibitor with IC50 of 3.2 nM. ChEBI CHEBI:177298

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

Density: 1.3±0.1 g/cm3
Boiling Point: 463.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.2±28.7 °C
Index of Refraction: 1.705
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 73 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 238.6±7.0 cm3

Click to predict properties on the Chemicalize site


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