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

C17H14ClN3O3 — CID 7246860

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1cn2ccccc2n1
InChIInChI=1S/C17H14ClN3O3/c1-11-8-12(18)5-6-13(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)
InChIKeyCWFCDYHQEHULCF-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.09
Rot. Bonds4

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

[2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7246860) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7246860
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1cn2ccccc2n1
InChIInChI=1S/C17H14ClN3O3/c1-11-8-12(18)5-6-13(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)
InChIKeyCWFCDYHQEHULCF-UHFFFAOYSA-N
XLogP3.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226356
[2-(2-bromo-4-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7247065
[2-(4-bromo-3-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7247028
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 24686250
[2-(4-chloro-2-methylanilino)-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734542
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891384
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7587755
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 7351802
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226358
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246843
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726332
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859795

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7246860) is [2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cn2ccccc2n1.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is CWFCDYHQEHULCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-11-8-12(18)5-6-13(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-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
[2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 343.77 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7246860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).