6-Cyclopropylmethoxy-2-{3-fluoro-4-[7-(2-hydroxy-2-methyl-propyl)-2,7-diaza-spiro[4.4]non-2-yl]-phenyl}-2H-isoquinolin-1-one
Basic information
- Standard SMILES
CC(C)(O)CN1CCC2(CCN(c3ccc(-n4ccc5cc(OCC6CC6)ccc5c4=O)cc3F)C2)C1- InChIKey
IFGOVCZFFMCGIZ-UHFFFAOYSA-N- Molecular formula
- C30H36FN3O3
- Average molar mass
- 505.6 g/mol
Names & identifiers
- Preferred name
- 6-Cyclopropylmethoxy-2-{3-fluoro-4-[7-(2-hydroxy-2-methyl-propyl)-2,7-diaza-spiro[4.4]non-2-yl]-phenyl}-2H-isoquinolin-1-one
- IUPAC
- 6-(cyclopropylmethoxy)-2-[3-fluoro-4-[7-(2-hydroxy-2-methylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]phenyl]isoquinolin-1-one
Names & synonyms
SCHEMBL4296142IFGOVCZFFMCGIZ-UHFFFAOYSA-N6-Cyclopropylmethoxy-2-{3-fluoro-4-[7-(2-hydroxy-2-methyl-propyl)-2,7-diaza-spiro[4.4]non-2-yl]-phenyl}-2H-isoquinolin-1-one
Database identifiers
- PubChem CID
- 57916632
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 878
Related reactions
1 records
Compound notes
Loading…