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

HCID 11640547
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Basic information

Standard SMILES
OCCOc1n[nH]c2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12
InChIKey
SKBXFJWEVNAXDN-UHFFFAOYSA-N
Molecular formula
C20H17ClFN5O3
Average molar mass
429.8 g/mol

Names & identifiers

Preferred name
2-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethanol
IUPAC
2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethanol

Names & synonyms

SCHEMBL1406731SKBXFJWEVNAXDN-UHFFFAOYSA-N2-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethanol

Database identifiers

PubChem CID
11640547

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
105 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
30

Related reactions

2 records
New reaction record

Linked notes

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