Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)nc3c2c(/C=C/c2cccc(N4CCCC4=O)c2)nn3C2CCCCO2)CC1- InChIKey
AHIVSNHERVFYMN-SFQUDFHCSA-N- Molecular formula
- C39H44N6O6
- Average molar mass
- 692.8 g/mol
Names & identifiers
- Preferred name
- 4-[6-(4-Hydroxy-phenyl)-3-{(E)-2-[3-(2-oxo-pyrrolidin-1-yl)-phenyl]-vinyl}-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[6-(4-hydroxyphenyl)-1-(oxan-2-yl)-3-[(E)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethenyl]pyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL14759806AHIVSNHERVFYMN-SFQUDFHCSA-N4-[6-(4-Hydroxy-phenyl)-3-{(E)-2-[3-(2-oxo-pyrrolidin-1-yl)-phenyl]-vinyl}-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester4-[6-(4-Hydroxy-phenyl)-3-{(E)-2-[3-(2-oxo-pyrrolidin-1-yl)-phenyl]-vinyl}-1-(tetrahydropyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 136359506
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
2 records
Compound notes
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