ChemSpider 2D Image | mivavotinib | C17H21FN6O

mivavotinib

  • Molecular FormulaC17H21FN6O
  • Average mass344.387 Da
  • Monoisotopic mass344.176086 Da
  • ChemSpider ID57583808

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1312691-33-0 [RN]
3H-Pyrrolo[3,4-c]pyridin-3-one, 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,2-dihydro-4-(1-methyl-1H-pyrazol-4-yl)- [ACD/Index Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-7-fluor-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-on [German] [ACD/IUPAC Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one [ACD/IUPAC Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-7-fluoro-4-(1-méthyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one [French] [ACD/IUPAC Name]
mivavotinib [INN]
mivavotinib [French] [INN]
mivavotinib [Spanish] [INN]
mivavotinibum [Latin] [INN]
мивавотиниб [Russian] [INN]
More...

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

8QR88H79VX [DBID]
TAK-659 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 661.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 354.0±31.5 °C
Index of Refraction: 1.756
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 98 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 217.9±7.0 cm3

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