Basic information
- Standard SMILES
O=C1OC2(CCN(C(=O)c3cn(Cc4cncnc4)c4cc(Cl)ccc34)CC2)c2ccc(F)cc21- InChIKey
YPRSMKRPXUVCFU-UHFFFAOYSA-N- Molecular formula
- C26H20ClFN4O3
- Average molar mass
- 490.9 g/mol
- Monoisotopic mass
- 490.1207964
Names & identifiers
- Preferred name
- 1'-{[6-Chloro-1-(pyrimidin-5-ylmethyl)-1H-indol-3-yl]carbonyl}-5-fluoro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
- IUPAC
- 1'-[6-chloro-1-(pyrimidin-5-ylmethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
Names & synonyms
SCHEMBL4361041YPRSMKRPXUVCFU-UHFFFAOYSA-N1'-{[6-Chloro-1-(pyrimidin-5-ylmethyl)-1H-indol-3-yl]carbonyl}-5-fluoro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
Database identifiers
- PubChem CID
- 59657653
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 818
Related reactions
3 records
Compound notes
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