5-(Butylamino)-2-phenyl-7H-pyrrolo[3,4-b]pyridin-7-one
Basic information
- CAS
922523-02-2- Standard SMILES
CCCCN=C1NC(=O)c2nc(-c3ccccc3)ccc21- InChIKey
WVWQVEKMKBBSQG-UHFFFAOYSA-N- Molecular formula
- C17H17N3O
- Average molar mass
- 279.34 g/mol
- Monoisotopic mass
- 279.13716217
Names & identifiers
- Preferred name
- 5-(Butylamino)-2-phenyl-7H-pyrrolo[3,4-b]pyridin-7-one
- IUPAC
- 5-butylimino-2-phenylpyrrolo[3,4-b]pyridin-7-one
Names & synonyms
922523-02-25-(Butylamino)-2-phenyl-7H-pyrrolo[3,4-b]pyridin-7-oneDTXSID80854886
Database identifiers
- CAS
922523-02-2- PubChem CID
- 136257909
- DTXSID
DTXSID80854886
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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