methyl 2-(4-(chroman-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-hydroxyacetate

HCID 71209093
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Basic information

Standard SMILES
COC(=O)C(O)c1c(C)nc2[nH]ccc2c1-c1ccc2c(c1)CCCO2
InChIKey
SNRKMPYBRUPGHM-UHFFFAOYSA-N
Molecular formula
C20H20N2O4
Average molar mass
352.4 g/mol

Names & identifiers

Preferred name
methyl 2-(4-(chroman-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-hydroxyacetate
IUPAC
methyl 2-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxyacetate

Names & synonyms

SCHEMBL14576627SNRKMPYBRUPGHM-UHFFFAOYSA-Nmethyl 2-(4-(chroman-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-hydroxyacetate

Database identifiers

PubChem CID
71209093

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
84.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
26

Related reactions

1 records
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Compound notes

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