ChemSpider 2D Image | 3-[3-(3-Methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | C24H25N5O

3-[3-(3-Methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide

  • Molecular FormulaC24H25N5O
  • Average mass399.488 Da
  • Monoisotopic mass399.205902 Da
  • ChemSpider ID25057633
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-[3-(3-Methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamid [German] [ACD/IUPAC Name]
3-[3-(3-Methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide [ACD/IUPAC Name]
3-[3-(3-Méthyl-6-{[(1S)-1-phényléthyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phényl]propanamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 3-[3-methyl-6-[[(1S)-1-phenylethyl]amino]-1H-pyrazolo[4,3-c]pyridin-1-yl]- [ACD/Index Name]
2FR
3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 611.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.7±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 118.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 8.41
ACD/KOC (pH 5.5): 36.05
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 235.84
ACD/KOC (pH 7.4): 1010.78
Polar Surface Area: 86 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 321.9±7.0 cm3

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