Basic information
- Standard SMILES
CN(C)C(=O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)nc3c2c(/C=C/c2ccccc2)nn3C2CCCCO2)CC1- InChIKey
ZREMLTILEKZUTR-LFIBNONCSA-N- Molecular formula
- C33H36N6O4
- Average molar mass
- 580.7 g/mol
Names & identifiers
- Preferred name
- 4-[6-(4-Hydroxy-phenyl)-3-((E)-styryl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid dimethylamide
- IUPAC
- 4-[6-(4-hydroxyphenyl)-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]pyrazolo[5,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
Names & synonyms
SCHEMBL14763057ZREMLTILEKZUTR-LFIBNONCSA-N4-[6-(4-Hydroxy-phenyl)-3-((E)-styryl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid dimethylamide
Database identifiers
- PubChem CID
- 136359510
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 972
Related reactions
1 records
Compound notes
Loading…