Basic information
- Standard SMILES
C=Cc1nn(C2CCCCO2)c2nc(-c3ccc(O)cc3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c12- InChIKey
MYUVGUUNQZDZPE-UHFFFAOYSA-N- Molecular formula
- C29H35N5O5
- Average molar mass
- 533.6 g/mol
Names & identifiers
- Preferred name
- 4-[6-(4-hydroxy-phenyl)-1-(tetrahydro-pyran-2-yl)-3-vinyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[3-ethenyl-6-(4-hydroxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL14759929MYUVGUUNQZDZPE-UHFFFAOYSA-N4-[6-(4-hydroxy-phenyl)-1-(tetrahydro-pyran-2-yl)-3-vinyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 136359504
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 880
Related reactions
4 records
Compound notes
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