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

HCID 71209401
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Basic information

Standard SMILES
Cc1cc(Cn2ccc3c(-c4ccc5c(c4)CCCO5)c(C(OC(C)(C)C)C(=O)O)c(C)nc32)ccc1F
InChIKey
KZHCNJPAODMJGS-UHFFFAOYSA-N
Molecular formula
C31H33FN2O4
Average molar mass
516.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL14577221KZHCNJPAODMJGS-UHFFFAOYSA-N2-(tert-butoxy)-2-(4-(chroman-6-yl)-1-(4-fluoro-3-methylbenzyl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid

Database identifiers

PubChem CID
71209401

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
73.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
38

Related reactions

1 records
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Compound notes

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