6-chloro-5-{4-[1-(methoxycarbonyl)pyrrolidin-3-yl]phenyl}-1H-indole-3-carboxylic acid

HCID 86698605
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)N1CCC(c2ccc(-c3cc4c(C(=O)O)c[nH]c4cc3Cl)cc2)C1
InChIKey
GFKWGTIEMRZGTL-UHFFFAOYSA-N
Molecular formula
C21H19ClN2O4
Average molar mass
398.8 g/mol

Names & identifiers

Preferred name
6-chloro-5-{4-[1-(methoxycarbonyl)pyrrolidin-3-yl]phenyl}-1H-indole-3-carboxylic acid
IUPAC
6-chloro-5-[4-(1-methoxycarbonylpyrrolidin-3-yl)phenyl]-1H-indole-3-carboxylic acid

Names & synonyms

CHEMBL3890728SCHEMBL15300886GFKWGTIEMRZGTL-UHFFFAOYSA-NBDBM237933US9394285, 14AUS9394285, 14BUS9394285, 146-chloro-5-{4-[1-(methoxycarbonyl)pyrrolidin-3-yl]phenyl}-1H-indole-3-carboxylic acid

Database identifiers

PubChem CID
86698605
ChEMBL
CHEMBL3890728

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
82.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
28

Related reactions

2 records
New reaction record

Linked notes

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