3-(2-Naphthalenyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid
Basic information
- CAS
633328-29-7- Standard SMILES
O=C(O)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cn1- InChIKey
LJQVDSXNCHYDCT-UHFFFAOYSA-N- Molecular formula
- C17H11N3O2
- Average molar mass
- 289.29 g/mol
- Monoisotopic mass
- 289.0851266
Names & identifiers
- Preferred name
- 3-(2-Naphthalenyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid
- IUPAC
- 3-naphthalen-2-yl-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid
Names & synonyms
SCHEMBL4157728DTXSID8011748803-(2-Naphthalenyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid633328-29-73-(naphthalen-2-yl)-1h-pyrazolo[3,4-c]pyridine-5-carboxylic acid
Database identifiers
- CAS
633328-29-7- PubChem CID
- 59797381
- DTXSID
DTXSID801174880
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
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Compound notes
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