Pimodivir
(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
Molecular Identity
Pimodivir
(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
PubChem CID: 67286591
2D Structure
Properties
C20H19F2N5O2
Molecular Formula
399.40
Molecular Weight
g/mol
399.1507
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
620
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Pimodivir1629869-44-8VX-787JNJ872Vx-787 anhydrous baseJNJ-63623872JNJ-63623872-ZCDDFC121MXC3JNJ63623872JNJ-872DTXSID801028095Bicyclo(2.2.2)octane-2-carboxylic acid, 3-((5-fluoro-2-(5-fluoro-1H-pyrrolo(2,3-b)pyridin-3-yl)-4-pyrimidinyl)amino)-, (2S,3S)-(2S,3S)-3-(5-FLUORO-2-(5-FLUORO-1H-PYRROLO(2,3-B)PYRIDIN-3-YL)PYRIMIDIN-4-YLAMINO)BICYCLO(2.2.2)OCTANE-2-CARBOXYLIC ACIDpimodivirumRefChem:863299
Data from PubChem (NCBI)
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