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

HCID 71209024
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Basic information

Standard SMILES
COC(=O)C(OC(C)(C)C)c1c(C)nc2[nH]ccc2c1-c1ccc2c(c1)CCCO2
InChIKey
KCVPISSQJDRMCT-UHFFFAOYSA-N
Molecular formula
C24H28N2O4
Average molar mass
408.5 g/mol
Monoisotopic mass
408.20490738

Names & identifiers

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

Names & synonyms

SCHEMBL14576499KCVPISSQJDRMCT-UHFFFAOYSA-Nmethyl 2-(tert-butoxy)-2-(4-(chroman-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetate

Database identifiers

PubChem CID
71209024

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
73.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
30

Related reactions

31 records
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Compound notes

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