Synthesis of imidazo[1,2-a]pyridine-containing peptidomimetics by tandem of Groebke–Blackburn–Bienaymé and Ugi reactions

Oleksandr V. Kolomiiets, Alexander V. Tsygankov, Maryna N. Kornet, Aleksander A. Brazhko, Vladimir I. Musatov and Valentyn A. Chebanov

Beilstein J. Org. Chem. 2023, 19, 727–735. https://doi.org/10.3762/bjoc.19.53

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Figure 1

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₁H₂₃Cl₂N₃O
Molecular Weight	404.33 g/mol
Exact Mass	403.1218 Da
InChI	InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
InChIKey	JRTIDHTUMYMPRU-UHFFFAOYSA-N
SMILES	CCCN(CCC)C(=O)CC1=C(C2=CC=C(C=C2)Cl)N=C3C=CC(=CN13)Cl
Number of Atoms	50
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	15
XLogP	3.7

Operator	Resulting query
aromatic	the word “aromatic”
aromatic aldehyde	the word “aromatic” OR “aldehyde”
+aromatic +aldehyde	both words “aromatic” AND “aldehyde”
+aromatic -aldehyde	the word “aromatic” but NOT “aldehyde”
“aromatic aldehyde”	the exact phrase “aromatic aldehyde”
benz*	words which begin with “benz”, such as “benzene” or “benzyl”
benz*yl	words that begin with “benz” and end with “yl”, such as “benzyl” or “benzoyl”
benzyl~	words that are close to the word “benzyl”, such as “benzoyl” (i.e., fuzzy search)