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Search term: WALDVLHIHTVOPR (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N,N-Diethyl-2-[5-(4-isoquinolinyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide | C27H23N7O

N,N-Diethyl-2-[5-(4-isoquinolinyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

  • Molecular FormulaC27H23N7O
  • Average mass461.518 Da
  • Monoisotopic mass461.196411 Da
  • ChemSpider ID23306193

More details:






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

1H-Benzimidazole-4-carboxamide, N,N-diethyl-2-[5-(4-isoquinolinyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]- [ACD/Index Name]
N,N-Diethyl-2-[5-(4-isochinolinyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-carboxamid [German] [ACD/IUPAC Name]
N,N-Diéthyl-2-[5-(4-isoquinoléinyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide [French] [ACD/IUPAC Name]
N,N-Diethyl-2-[5-(4-isoquinolinyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide [ACD/IUPAC Name]
N,N-diethyl-2-[5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide
CHEMBL251739
N,N-diethyl-2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazole-4-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 792.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 433.0±35.7 °C
Index of Refraction: 1.745
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 47.66
ACD/KOC (pH 5.5): 546.56
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 19.62
ACD/KOC (pH 7.4): 224.99
Polar Surface Area: 103 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 340.2±3.0 cm3

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