Basic information
- Standard SMILES
OCCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12- InChIKey
BVXBBIZFISJCMB-UHFFFAOYSA-N- Molecular formula
- C19H17ClN6O3
- Average molar mass
- 412.8 g/mol
Names & identifiers
- Preferred name
- 2-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethanol
- IUPAC
- 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethanol
Names & synonyms
CHEMBL257861SCHEMBL1406420BVXBBIZFISJCMB-UHFFFAOYSA-NBDBM503738592-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethanol
Database identifiers
- PubChem CID
- 11675978
- ChEMBL
CHEMBL257861
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 507
Related reactions
5 records
Compound notes
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