ChemSpider 2D Image | IPI-549 | C30H24N8O2

IPI-549

  • Molecular FormulaC30H24N8O2
  • Average mass528.564 Da
  • Monoisotopic mass528.202209 Da
  • ChemSpider ID60600433
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1693758-51-8 [RN]
2-Amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethinyl]-1-oxo-2-phenyl-1,2-dihydro-3-isochinolinyl}ethyl]pyrazolo[1,5-a]pyrimidin-3-carboxamid [German] [ACD/IUPAC Name]
2-Amino-N-[(1S)-1-{8-[(1-méthyl-1H-pyrazol-4-yl)éthynyl]-1-oxo-2-phényl-1,2-dihydro-3-isoquinoléinyl}éthyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide [French] [ACD/IUPAC Name]
2-Amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydro-3-isoquinolinyl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide [ACD/IUPAC Name]
IPI-549
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 2-amino-N-[(1S)-1-[1,2-dihydro-8-[2-(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-3-isoquinolinyl]ethyl]- [ACD/Index Name]
(S)-2-amino-N-(1-(8-((1-methyl-1H-pyrazol-4-yl)ethynyl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
22226-73-9 [RN]
2-amino-N-[(1S)-1-[1,2-dihydro-8-[2-(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-3-isoquinolinyl]ethyl]-pyrazolo[1,5-a]pyrimidine-3-carboxamide
IPI549
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.726
Molar Refractivity: 152.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.98
ACD/KOC (pH 5.5): 1538.45
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.85
ACD/KOC (pH 7.4): 1537.44
Polar Surface Area: 123 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 384.4±7.0 cm3

Click to predict properties on the Chemicalize site






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