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

HCID 11699528

Basic information

Standard SMILES
O=C1c2ccccc2C(=O)N1CCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
InChIKey
HQKWSNMALVWOBX-UHFFFAOYSA-N
Molecular formula
C27H20ClN7O4
Average molar mass
541.9 g/mol

Names & identifiers

Preferred name
2-{2-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethyl}-1H-isoindole-1,3(2H)-dione
IUPAC
2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]isoindole-1,3-dione

Names & synonyms

SCHEMBL1406583HQKWSNMALVWOBX-UHFFFAOYSA-N2-{2-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethyl}-1H-isoindole-1,3(2H)-dione

Database identifiers

PubChem CID
11699528

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
135 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
39

Related reactions

4 records

Compound notes

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