Inaxaplin
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide
Molecular Identity
Inaxaplin
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide
PubChem CID: 147289591
2D Structure
Properties
C21H18F3N3O3
Molecular Formula
417.40
Molecular Weight
g/mol
417.1300
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
94.2
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
646
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(C(=O)N1)NC(=O)CCC2=C(NC3=C2C=C(C=C3F)F)C4=CC=C(C=C4)F)OIsomeric SMILES
SMILES: C1[C@H]([C@@H](C(=O)N1)NC(=O)CCC2=C(NC3=C2C=C(C=C3F)F)C4=CC=C(C=C4)F)OSynonyms(20)
Inaxaplin2446816-88-0Inaxaplin [INN]S2SJ2RVZ6YRefChem:148063UNII-S2SJ2RVZ6YVX-1473-(5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)propanamideVX1471H-Indole-3-propanamide, 5,7-difluoro-2-(4-fluorophenyl)-N-[(3S,4R)-4-hydroxy-2-oxo-3-pyrrolidinyl]-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamideInaxaplin?Inaxaplin VX-147Inaxaplin (USAN/INN)INAXAPLIN [USAN]
Data from PubChem (NCBI)
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