ChemSpider 2D Image | 2-(1-Methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide | C21H22N8O2

2-(1-Methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide

  • Molecular FormulaC21H22N8O2
  • Average mass418.452 Da
  • Monoisotopic mass418.186584 Da
  • ChemSpider ID21649451

More details:

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

2-(1-Methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-(1-Methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide [ACD/IUPAC Name]
2-(1-Méthyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-yl)phényl]acétamide [French] [ACD/IUPAC Name]
5H-Pyrazolo[3,4-d]pyrimidine-5-acetamide, 1,4-dihydro-1-methyl-4-oxo-N-[3-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.770
Molar Refractivity: 115.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.45
ACD/KOC (pH 5.5): 84.29
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.46
ACD/KOC (pH 7.4): 84.64
Polar Surface Area: 110 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 67.8±7.0 dyne/cm
Molar Volume: 277.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement