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PF-06835919 500mg

CAT: 0628-A22266-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A22266-500Size:500 mg
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CAS Number
2102501-84-6

Chemical Information

Ketohexokinase inhibitor 1

PF-06835919 is under investigation in clinical trial NCT05463575 (Ketohexokinase Inhibition in NAFLD).

CAS Number2102501-84-6
PubChem CID129278694
IUPAC Name2-[(1R,5S)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
Molecular FormulaC16H19F3N4O2
Molecular Weight356.34
XLogP2.4
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity534
SMILES
C[C@H]1CCN1C2=NC(=CC(=N2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F
InChI
InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9?,10-,11+/m0/s1
InChIKey
MDUYWDNWFXSMJJ-OFLUOSHYSA-N
Chemical Structure
2D Structure
2D structure of Ketohexokinase inhibitor 1
CAS: 2102501-84-6
CID: 129278694
Formula: C16H19F3N4O2
MW: 356.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.34
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass356.14601035
Monoisotopic Mass356.14601035
Topological Polar Surface Area69.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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