Basic information
- Standard SMILES
CCCNc1nc(Nc2cccc(F)c2)ncc1C#CCCCN1C(=O)c2ccccc2C1=O- InChIKey
YMSJREPMTBBSQB-UHFFFAOYSA-N- Molecular formula
- C26H24FN5O2
- Average molar mass
- 457.5 g/mol
Names & identifiers
- Preferred name
- 2-(5-(2-((3-Fluorophenyl)amino)-4-(propylamino)pyrimidin-5-yl)-4-pentyn-1-yl)isoindoline-1,3-dione
- IUPAC
- 2-[5-[2-(3-fluoroanilino)-4-(propylamino)pyrimidin-5-yl]pent-4-ynyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL15584670YMSJREPMTBBSQB-UHFFFAOYSA-N2-(5-(2-((3-fluorophenyl)amino)-4-(propylamino)pyrimidin-5-yl)-4-pentyn-1-yl)isoindoline-1,3-dione
Database identifiers
- PubChem CID
- 90052265
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 756
Related reactions
2 records
Compound notes
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