2-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethanol

HCID 11675978

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

Related reactions

5 records

Compound notes

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