ChemSpider 2D Image | N~4~-[2-(Isopropylsulfonyl)phenyl]-N~6~-[2-methoxy-5-methyl-4-(4-piperidinyl)phenyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | C28H35N7O3S

N4-[2-(Isopropylsulfonyl)phenyl]-N6-[2-methoxy-5-methyl-4-(4-piperidinyl)phenyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

  • Molecular FormulaC28H35N7O3S
  • Average mass549.688 Da
  • Monoisotopic mass549.252197 Da
  • ChemSpider ID34957806

More details:

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

2H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine, N6-[2-methoxy-5-methyl-4-(4-piperidinyl)phenyl]-3-methyl-N4-[2-[(1-methylethyl)sulfonyl]phenyl]- [ACD/Index Name]
N4-[2-(Isopropylsulfonyl)phenyl]-N6-[2-methoxy-5-methyl-4-(4-piperidinyl)phenyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4,6-diamin [German] [ACD/IUPAC Name]
N4-[2-(Isopropylsulfonyl)phenyl]-N6-[2-methoxy-5-methyl-4-(4-piperidinyl)phenyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine [ACD/IUPAC Name]
N4-[2-(Isopropylsulfonyl)phényl]-N6-[2-méthoxy-5-méthyl-4-(4-pipéridinyl)phényl]-3-méthyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine [French] [ACD/IUPAC Name]
US8592432, 143

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

Density: 1.3±0.1 g/cm3
Boiling Point: 718.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.2±35.7 °C
Index of Refraction: 1.635
Molar Refractivity: 151.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.59
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 12.70
Polar Surface Area: 142 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 422.6±3.0 cm3

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