Basic information
- Standard SMILES
CCCn1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cccnc21- InChIKey
QXNOHKVCJXMMJT-UHFFFAOYSA-N- Molecular formula
- C23H31N3O
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.24671262
Names & identifiers
- Preferred name
- 3-(3,5-Di-tertiary butyl-4-hydroxyphenyl)-1-propyl-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 2,6-ditert-butyl-4-(1-propylpyrazolo[5,4-b]pyridin-3-yl)phenol
Names & synonyms
SCHEMBL10532885QXNOHKVCJXMMJT-UHFFFAOYSA-N3-(3,5-Di-tertiary butyl-4-hydroxyphenyl)-1-propyl-1H-pyrazolo[3,4-b]pyridine
Database identifiers
- PubChem CID
- 136018552
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 471
Related reactions
1 records
Compound notes
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