methyl 2-(tert-butoxy)-2-(1-(4-chloro-3-fluorobenzyl)-6-methyl-7-oxo-4-(p-tolyl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl)acetate

HCID 89463196
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Basic information

Standard SMILES
COC(=O)C(OC(C)(C)C)c1c(-c2ccc(C)cc2)c2ccn(Cc3ccc(Cl)c(F)c3)c2c(=O)n1C
InChIKey
XTXKLOWMTIITKI-UHFFFAOYSA-N
Molecular formula
C29H30ClFN2O4
Average molar mass
525 g/mol

Names & identifiers

Preferred name
methyl 2-(tert-butoxy)-2-(1-(4-chloro-3-fluorobenzyl)-6-methyl-7-oxo-4-(p-tolyl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl)acetate
IUPAC
methyl 2-[1-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-4-(4-methylphenyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Names & synonyms

SCHEMBL14810228XTXKLOWMTIITKI-UHFFFAOYSA-Nmethyl 2-(tert-butoxy)-2-(1-(4-chloro-3-fluorobenzyl)-6-methyl-7-oxo-4-(p-tolyl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl)acetate

Database identifiers

PubChem CID
89463196

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
60.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
37

Related reactions

2 records
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Compound notes

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