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Basic information
- Standard SMILES
N#Cc1ccc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)c3ccccc32)cc1- InChIKey
YHGVNGZOMYDXCF-UHFFFAOYSA-N- Molecular formula
- C26H17FN4
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.14372472
Names & identifiers
- Preferred name
- 4-{3-Amino-1-[3-(2-fluoropyridin-3-yl)phenyl]-1H-isoindol-1-yl}benzonitrile
- IUPAC
- 4-[3-amino-1-[3-(2-fluoro-3-pyridinyl)phenyl]isoindol-1-yl]benzonitrile
Names & synonyms
SCHEMBL2085571YHGVNGZOMYDXCF-UHFFFAOYSA-N4-{3-Amino-1-[3-(2-fluoropyridin-3-yl)phenyl]-1H-isoindol-1-yl}benzonitrile
Database identifiers
- PubChem CID
- 59596282
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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