[3-(4-chloro-2-fluoro-benzyloxy)-2-ethoxy-phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone

HCID 58086972
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Basic information

Standard SMILES
CCOc1c(OCc2ccc(Cl)cc2F)cccc1C(=O)c1c[nH]c2ncc(OC)cc12
InChIKey
VJUOJZDFECXPGX-UHFFFAOYSA-N
Molecular formula
C24H20ClFN2O4
Average molar mass
454.9 g/mol
Monoisotopic mass
454.109563

Names & identifiers

Preferred name
[3-(4-chloro-2-fluoro-benzyloxy)-2-ethoxy-phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone
IUPAC
[3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

Names & synonyms

SCHEMBL414969VJUOJZDFECXPGX-UHFFFAOYSA-N[3-(4-chloro-2-fluoro-benzyloxy)-2-ethoxy-phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone

Database identifiers

PubChem CID
58086972

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
73.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
32

Related reactions

4 records
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Compound notes

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