2-Tert-butoxy-2-[4-chroman-6-yl-6-methyl-1-[(3,4,5-trifluorophenyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid

HCID 71209290
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Basic information

Standard SMILES
Cc1nc2c(ccn2Cc2cc(F)c(F)c(F)c2)c(-c2ccc3c(c2)CCCO3)c1C(OC(C)(C)C)C(=O)O
InChIKey
YUKRWLPNNSAJJH-UHFFFAOYSA-N
Molecular formula
C30H29F3N2O4
Average molar mass
538.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL14576988YUKRWLPNNSAJJH-UHFFFAOYSA-N2-(tert-butoxy)-2-(4-(chroman-6-yl)-6-methyl-1-(3,4,5-trifluorobenzyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid2-tert-butoxy-2-[4-chroman-6-yl-6-methyl-1-[(3,4,5-trifluorophenyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid

Database identifiers

PubChem CID
71209290

Properties

Computed structural properties

XLogP
6
Topological polar surface area
73.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
39

Related reactions

1 records
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Compound notes

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