spebrutinib
N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Molecular Identity
spebrutinib
N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
PubChem CID: 59174488
2D Structure
Properties
C22H22FN5O3
Molecular Formula
423.40
Molecular Weight
g/mol
423.1707
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
97.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
561
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
spebrutinib1202757-89-8AVL-292cc-292Btk inhibitor CC-292N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamideDRU6NG543JEspebrutinib2-Propenamide, N-(3-((5-fluoro-2-((4-(2-methoxyethoxy)phenyl)amino)-4-pyrimidinyl)amino)phenyl)-N-{3-[(5-FLUORO-2-{[4-(2-METHOXYETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}PROP-2-ENAMIDE3-(5-FLUORO-2-(4-(2-METHOXYETHOXY)PHENYLAMINO)PYRIMIDIN-4-YLAMINO)PHENYL)ACRYLAMIDEspebrutinibumN-(3-((5-fluoro-2-(4-(2-methoxyethoxy)anilino)pyrimidin-4-yl)amino)phenyl)prop-2-enamideN-(3-((5-fluoro-2-((4-(2-methoxyethoxy)phenyl)amino)pyrimidin-4-yl)amino)phenyl)prop-2-enamideRefChem:888489
Data from PubChem (NCBI)
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