5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-y]-2-benzofuran-1 (3H)-one

HCID 76285359
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Basic information

Standard SMILES
COc1cc(OC)c(Cl)c(-c2cc3[nH]nc(-c4ccc5c(c4)COC5=O)c3cn2)c1Cl
InChIKey
YUEAAXPJSAGYJC-UHFFFAOYSA-N
Molecular formula
C22H15Cl2N3O4
Average molar mass
456.3 g/mol
Monoisotopic mass
455.0439614

Names & identifiers

Preferred name
5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-y]-2-benzofuran-1 (3H)-one
IUPAC
5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-yl]-3H-2-benzofuran-1-one

Names & synonyms

SCHEMBL15796430YUEAAXPJSAGYJC-UHFFFAOYSA-N5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-y]-2-benzofuran-1 (3H)-one

Database identifiers

PubChem CID
76285359

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
86.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
31

Related reactions

1 records
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Compound notes

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