Basic information
- Standard SMILES
CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1- InChIKey
ICNZFCXLCJUTHW-UHFFFAOYSA-N- Molecular formula
- C29H26N4O5S
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.16239112
Names & identifiers
- Preferred name
- ethyl 4-[benzyl-(4-methoxybenzenesulfonyl)amino]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
- IUPAC
- ethyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
Names & synonyms
SCHEMBL6289962ICNZFCXLCJUTHW-UHFFFAOYSA-Nethyl 4-[benzyl-(4-methoxybenzenesulfonyl)amino]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Database identifiers
- PubChem CID
- 22322147
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 894
Related reactions
5 records
Compound notes
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