Basic information
- Standard SMILES
COc1nc(Nc2ccc3c(n2)O[C@H](c2ccccc2)CN(C)C3)ccc1-c1cnn(C)c1- InChIKey
IKUXSEKKQNIOCQ-NRFANRHFSA-N- Molecular formula
- C25H26N6O2
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- gamma-Secretase modulator 6
- IUPAC
- (2R)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-methyl-2-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine
Names & synonyms
gamma-secretase modulator 61255700-88-9(R)-N-(6-Methoxy-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl)-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amineorb3029016SCHEMBL3706764IKUXSEKKQNIOCQ-NRFANRHFSA-NHY-171347T206107
Database identifiers
- PubChem CID
- 49819500
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 620
Related reactions
12 records
Linked notes
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