3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-{3-chloro-4-[(6-methylpyridin-3-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HCID 11635018
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Basic information

Standard SMILES
CC(=O)N1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(Cl)c4)c23)CC1
InChIKey
QFKHRAMBZLTSDV-UHFFFAOYSA-N
Molecular formula
C25H27ClN8O3
Average molar mass
523 g/mol
Monoisotopic mass
522.1894644

Names & identifiers

Preferred name
3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-{3-chloro-4-[(6-methylpyridin-3-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC
1-[4-[2-[[4-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperazin-1-yl]ethanone

Names & synonyms

SCHEMBL1406295QFKHRAMBZLTSDV-UHFFFAOYSA-N3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-{3-chloro-4-[(6-methylpyridin-3-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Database identifiers

PubChem CID
11635018

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
121 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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