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

HCID 71209427
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Basic information

Standard SMILES
Cc1nc2c(ccn2Cc2ccc(F)cc2)c(-c2ccc3c(c2)CCCO3)c1C(OC(C)(C)C)C(=O)O
InChIKey
UOHRLDTYTMDRIN-UHFFFAOYSA-N
Molecular formula
C30H31FN2O4
Average molar mass
502.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL14577289UOHRLDTYTMDRIN-UHFFFAOYSA-N2-(tert-butoxy)-2-(4-(chroman-6-yl)-1-(4-fluorobenzyl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid2-tert-butoxy-2-[4-chroman-6-yl-1-[(4-fluorophenyl)methyl]-6-methyl-pyrrolo[2,3-b]pyridin-5-yl]acetic acid

Database identifiers

PubChem CID
71209427

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
73.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
37

Related reactions

1 records
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Compound notes

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