[2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate

C17H14BrN3O3 — CID 7247065

IUPAC[2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cn3ccccc3n2)c(Br)c1
InChIInChI=1S/C17H14BrN3O3/c1-11-5-6-13(12(18)8-11)20-16(22)10-24-17(23)14-9-21-7-3-2-4-15(21)19-14/h2-9H,10H2,1H3,(H,20,22)
InChIKeyKKNZGNSERHSYKY-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.20
Rot. Bonds4

About [2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate

[2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7247065) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is [2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7247065
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC Name[2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cn3ccccc3n2)c(Br)c1
InChIInChI=1S/C17H14BrN3O3/c1-11-5-6-13(12(18)8-11)20-16(22)10-24-17(23)14-9-21-7-3-2-4-15(21)19-14/h2-9H,10H2,1H3,(H,20,22)
InChIKeyKKNZGNSERHSYKY-UHFFFAOYSA-N
XLogP3.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246860
[2-(4-bromo-3-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7247028
4-O-[2-(2-bromo-4-methylanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239682
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226358
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 27560755
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7587755
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246843
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 5023016
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834241
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-bromobenzoate
CID 7775273
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988295
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7594690

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7247065) is [2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is Cc1ccc(NC(=O)COC(=O)c2cn3ccccc3n2)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is KKNZGNSERHSYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-11-5-6-13(12(18)8-11)20-16(22)10-24-17(23)14-9-21-7-3-2-4-15(21)19-14/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of [2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
[2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 388.22 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7247065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).