Organofluorine / Alfa Chemistry
4-Methyl-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile

4-Methyl-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile

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4-Methyl-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile
Catalog OFC1628317189
CAS 1628317-18-9
Category Fluorinated Nitriles
Synonyms MI-463
Purity 97%
MDL Number MFCD28506301
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C24H23F3N6S
Molecular Weight 484.54
Molar Refractivity 131.44
Bioavailability Score 0.55
Egan 1.0
Ghose None
Lipinski 0.0
Muegge 1.0
Veber 0.0
Consensus LogP 4.91
MLogP 2.78
SILICOS-IT 6.27
WLogP 6.07
XLogP3 5.91
iLogP 3.5
BBB Permeant No
CYP1A2 Inhibitor No
CYP2C19 Inhibitor Yes
CYP2C9 Inhibitor Yes
CYP2D6 Inhibitor Yes
CYP3A4 Inhibitor Yes
GI Absorption Low
LogKp -5.06 cm/s
P-gp Substrate Yes
Fraction Csp3 0.38
GHS Pictogram GHS07
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305+P351+P338

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