Branebrutinib
4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
Molecular Identity
Branebrutinib
4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID: 121293929
2D Structure
Properties
C20H23FN4O2
Molecular Formula
370.40
Molecular Weight
g/mol
370.1805
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
91.2
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
657
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Branebrutinib1912445-55-6BMS-9861957LBRZUYSHU4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide4-((3S)-3-(But-2-ynamido)piperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide4-[(3S)-3-(but-2-ynamido)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide4-((3S)-3-(but-2-ynoylamino)piperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamideRefChem:121234(S)-4-(3-(but-2-ynamido)piperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamideBranebrutinib [USAN]C20H23FN4O2BMS986195Branebrutinib (USAN)1H-Indole-7-carboxamide, 5-fluoro-2,3-dimethyl-4-((3S)-3-((1-oxo-2-butyn-1-yl)amino)-1-piperidinyl)-
Data from PubChem (NCBI)
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