ChemSpider 2D Image | 4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]-1H,2H,3H-imidazo[4,5-c]pyridin-2-one | C26H25N5O3

4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]-1H,2H,3H-imidazo[4,5-c]pyridin-2-one

  • Molecular FormulaC26H25N5O3
  • Average mass455.508 Da
  • Monoisotopic mass455.195740 Da
  • ChemSpider ID88298633
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-[(3R)-1-Acryloyl-3-piperidinyl]-4-imino-3-(4-phenoxyphenyl)-1,3,4,5-tetrahydro-2H-imidazo[4,5-c]pyridin-2-on [German] [ACD/IUPAC Name]
1-[(3R)-1-Acryloyl-3-piperidinyl]-4-imino-3-(4-phenoxyphenyl)-1,3,4,5-tetrahydro-2H-imidazo[4,5-c]pyridin-2-one [ACD/IUPAC Name]
1-[(3R)-1-Acryloyl-3-pipéridinyl]-4-imino-3-(4-phénoxyphényl)-1,3,4,5-tétrahydro-2H-imidazo[4,5-c]pyridin-2-one [French] [ACD/IUPAC Name]
1971920-73-6 [RN]
2H-Imidazo[4,5-c]pyridin-2-one, 1,3,4,5-tetrahydro-4-imino-1-[(3R)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl]-3-(4-phenoxyphenyl)- [ACD/Index Name]
4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]-1H,2H,3H-imidazo[4,5-c]pyridin-2-one
(R)-1-(1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one
MFCD32710277
Tolebrutinib

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.4±65.0 °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: 343.5±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 129.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.22
Polar Surface Area: 89 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 342.2±7.0 cm3

Click to predict properties on the Chemicalize site






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