Basic information
- Standard SMILES
NC1=NC(c2ccncc2)(c2cccc(-c3cncc(F)c3)c2)c2cccc(F)c21- InChIKey
HLWMPHXAKRXVIS-UHFFFAOYSA-N- Molecular formula
- C24H16F2N4
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.13430285
Names & identifiers
- Preferred name
- 4-Fluoro-1-(3-(5-fluoropyridin-3-yl)phenyl)-1-(pyridin-4-yl)-1H-isoindol-3-amine
- IUPAC
- 7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
Names & synonyms
CHEMBL2177905SCHEMBL2462889HLWMPHXAKRXVIS-UHFFFAOYSA-NBDBM503982804-Fluoro-1-(3-(5-fluoropyridin-3-yl)phenyl)-1-(pyridin-4-yl)-1H-isoindol-3-amine
Database identifiers
- PubChem CID
- 46206294
- ChEMBL
CHEMBL2177905
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 637
Related reactions
2 records
Compound notes
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