Basic information
- Standard SMILES
Cc1nn(-c2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(=O)O)c12- InChIKey
YABKWSWWULJVQN-UHFFFAOYSA-N- Molecular formula
- C18H12ClN3O3
- Average molar mass
- 353.8 g/mol
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
- IUPAC
- 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
Names & synonyms
MLS000564133SMR000151728CHEMBL1464107SCHEMBL17137830BDBM50119cid_4178486YABKWSWWULJVQN-UHFFFAOYSA-NAKOS0344481581-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acidUS9394303, 1Z558718771-(3-chlorophenyl)-6-(2-furanyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid
Show more names
1-(3-chlorophenyl)-6-(2-furyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid1-(3-chlorophenyl)-6-(furan-2-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid1-(3-chlorophenyl)-6-(furan-2-yl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Database identifiers
- PubChem CID
- 4178486
- ChEMBL
CHEMBL1464107
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 508
Related reactions
1 records
Compound notes
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