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Basic information
- Standard SMILES
COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H]3C[C@@H](O)CN3)c21- InChIKey
AWZLLTSFYOFJHT-QNWYCTJYSA-N- Molecular formula
- C20H18FN3O3
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- (3Z)-5-fluoro-4-{2-[(2S,4R)-4-hydroxypyrrolidin-2-yl]ethynyl}-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
- IUPAC
- (3Z)-5-fluoro-4-[2-[(2S,4R)-4-hydroxypyrrolidin-2-yl]ethynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
Names & synonyms
4-alkynyl oxindole 7sCHEMBL170130SCHEMBL6966172BDBM10113AWZLLTSFYOFJHT-QNWYCTJYSA-N(3Z)-5-fluoro-4-{2-[(2S,4R)-4-hydroxypyrrolidin-2-yl]ethynyl}-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one(Z)-1,3-Dihydro-5-fluoro-4-[(2S,4R)-(4-hydroxy-pyrrolidin-2-yl)-ethynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2H-indol-2-one
Database identifiers
- PubChem CID
- 23645083
- ChEMBL
CHEMBL170130
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 684
Related reactions
6 records
Compound notes
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