Basic information
- Standard SMILES
CC(=O)O.COc1cc(C2(c3cccc(-c4cncc(C#N)c4)c3)N=C(N)c3c(F)cccc32)ccn1- InChIKey
WXVUZHSEHBJYHF-UHFFFAOYSA-N- Molecular formula
- C28H22FN5O3
- Average molar mass
- 495.5 g/mol
Names & identifiers
- Preferred name
- 5-(3-(3-Amino-4-fluoro-1-(2-methoxypyridin-4-yl)-1H-isoindol-1-yl) phenyl)nicotinonitrile acetate
- IUPAC
- acetic acid;5-[3-[3-amino-4-fluoro-1-(2-methoxy-4-pyridinyl)isoindol-1-yl]phenyl]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL2465527WXVUZHSEHBJYHF-UHFFFAOYSA-N5-(3-(3-Amino-4-fluoro-1-(2-methoxypyridin-4-yl)-1H-isoindol-1-yl) phenyl)nicotinonitrile acetate5-(3-(3-amino-4-fluoro-1-(2-methoxypyridin-4-yl)-1h-isoindol-1-yl)phenyl)nicotinonitrile acetate
Database identifiers
- PubChem CID
- 67418649
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 813
Related reactions
1 records
Compound notes
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