ChemSpider 2D Image | Futibatinib | C22H22N6O3

Futibatinib

  • Molecular FormulaC22H22N6O3
  • Average mass418.448 Da
  • Monoisotopic mass418.175354 Da
  • ChemSpider ID58877815

More details:






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

1-(3-{4-Amino-3-[(3,5-dimethoxyphenyl)ethinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1-pyrrolidinyl)-2-propen-1-on [German] [ACD/IUPAC Name]
1-(3-{4-Amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1-pyrrolidinyl)-2-propen-1-one [ACD/IUPAC Name]
1-(3-{4-Amino-3-[(3,5-diméthoxyphényl)éthynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1-pyrrolidinyl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-pyrrolidinyl]- [ACD/Index Name]
Futibatinib [INN]
1448169-71-8 [RN]
FGFR-IN-1
TAS120

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

4B93MGE4AL [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.6±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.82
ACD/KOC (pH 5.5): 122.21
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.91
ACD/KOC (pH 7.4): 124.14
Polar Surface Area: 108 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 312.6±7.0 cm3

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