2-[2-(4-{[4-[(6-methylpyridin-3-yl)oxy]-3-(trifluoromethyl)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethoxy]ethanol

HCID 57597355
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Basic information

Standard SMILES
Cc1ccc(Oc2ccc(Nc3ncnc4ccn(CCOCCO)c34)cc2C(F)(F)F)cn1
InChIKey
ZOMZXSJFNGYAIN-UHFFFAOYSA-N
Molecular formula
C23H22F3N5O3
Average molar mass
473.4 g/mol

Names & identifiers

Preferred name
2-[2-(4-{[4-[(6-methylpyridin-3-yl)oxy]-3-(trifluoromethyl)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethoxy]ethanol
IUPAC
2-[2-[4-[4-[(6-methyl-3-pyridinyl)oxy]-3-(trifluoromethyl)anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy]ethanol

Names & synonyms

2-[2-(4-{[4-[(6-methylpyridin-3-yl)oxy]-3-(trifluoromethyl)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethoxy]ethanolSCHEMBL2748736

Database identifiers

PubChem CID
57597355

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
94.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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