ChemSpider 2D Image | 3-(6-Isobutoxy-2-naphthyl)-1-[(1-methyl-4-piperidinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C26H32N6O

3-(6-Isobutoxy-2-naphthyl)-1-[(1-methyl-4-piperidinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC26H32N6O
  • Average mass444.572 Da
  • Monoisotopic mass444.263763 Da
  • ChemSpider ID35034500

More details:






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

1-[(1-Methylpiperidin-4-Yl)methyl]-3-[6-(2-Methylpropoxy)naphthalen-2-Yl]pyrazolo[3,4-D]pyrimidin-4-Amine
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-[(1-methyl-4-piperidinyl)methyl]-3-[6-(2-methylpropoxy)-2-naphthalenyl]- [ACD/Index Name]
3-(6-Isobutoxy-2-naphthyl)-1-[(1-methyl-4-piperidinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-(6-Isobutoxy-2-naphthyl)-1-[(1-methyl-4-piperidinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-(6-Isobutoxy-2-naphtyl)-1-[(1-méthyl-4-pipéridinyl)méthyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
V68

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.7±30.1 °C
Index of Refraction: 1.675
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.79
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 23.03
ACD/KOC (pH 7.4): 117.56
Polar Surface Area: 82 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 344.5±7.0 cm3

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