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

HCID 11627375
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Basic information

Standard SMILES
O=C1CNC(=O)N1CCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
InChIKey
LQJRSWXMHKWHMX-UHFFFAOYSA-N
Molecular formula
C22H19ClN8O4
Average molar mass
494.9 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL1406572LQJRSWXMHKWHMX-UHFFFAOYSA-N3-{2-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethyl}imidazolidine-2,4-dione

Database identifiers

PubChem CID
11627375

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
147 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
35

Related reactions

2 records
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Compound notes

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