Basic information
- Standard SMILES
COc1ccccc1-c1n[nH]c2ncc(-c3cccc(C(O)C(=O)N(C)CC#N)c3)cc12- InChIKey
LNLLTKSZUMHJAQ-UHFFFAOYSA-N- Molecular formula
- C24H21N5O3
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.16443955
Names & identifiers
- Preferred name
- N-cyanomethyl-2-hydroxy-2-{3-[3-(2-methoxy-phenyl)-1H-pyrazolo[3,4-b]pyridine-5-yl]-phenyl}-N-methyl-acetamide
- IUPAC
- N-(cyanomethyl)-2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
Names & synonyms
SCHEMBL5063979LNLLTKSZUMHJAQ-UHFFFAOYSA-NN-cyanomethyl-2-hydroxy-2-{3-[3-(2-methoxy-phenyl)-1H-pyrazolo[3,4-b]pyridine-5-yl]-phenyl}-N-methyl-acetamide
Database identifiers
- PubChem CID
- 59824909
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 696
Related reactions
1 records
Compound notes
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