(4-Anilino-1-ethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)(phenyl)methanone
Basic information
- CAS
39973-62-1- Standard SMILES
CCn1ncc2c(Nc3ccccc3)c(C(=O)c3ccccc3)cnc21- InChIKey
WYIQFLVLRKXARX-UHFFFAOYSA-N- Molecular formula
- C21H18N4O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.14806121
Names & identifiers
- Preferred name
- (4-Anilino-1-ethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)(phenyl)methanone
- IUPAC
- (4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone
Names & synonyms
39973-62-1NSC235197DTXSID20311009(4-Anilino-1-ethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)(phenyl)methanoneNSC-235197
Database identifiers
- CAS
39973-62-1- PubChem CID
- 314895
- DTXSID
DTXSID20311009
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
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