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

HCID 71209348
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Basic information

Standard SMILES
Cc1nc2c(ccn2Cc2ccc(F)cc2Cl)c(-c2ccc3c(c2)CCCO3)c1C(OC(C)(C)C)C(=O)O
InChIKey
MESOMZKFMKZMOS-UHFFFAOYSA-N
Molecular formula
C30H30ClFN2O4
Average molar mass
537 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL14577101MESOMZKFMKZMOS-UHFFFAOYSA-N2-(tert-butoxy)-2-(1-(2-chloro-4-fluorobenzyl)-4-(chroman-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid

Database identifiers

PubChem CID
71209348

Properties

Computed structural properties

XLogP
6.4
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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