[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C20H20N2O3 — CID 40576053

IUPAC[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)c2cn3c(C)cccc3n2)c(C)c1
InChIInChI=1S/C20H20N2O3/c1-12-8-13(2)19(14(3)9-12)17(23)11-25-20(24)16-10-22-15(4)6-5-7-18(22)21-16/h5-10H,11H2,1-4H3
InChIKeyRKFHHZUQWCZWDP-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.61
Rot. Bonds4

About [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 40576053) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID40576053
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)c2cn3c(C)cccc3n2)c(C)c1
InChIInChI=1S/C20H20N2O3/c1-12-8-13(2)19(14(3)9-12)17(23)11-25-20(24)16-10-22-15(4)6-5-7-18(22)21-16/h5-10H,11H2,1-4H3
InChIKeyRKFHHZUQWCZWDP-UHFFFAOYSA-N
XLogP3.61
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 75412698
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55401925
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 18202318
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate
CID 2450228
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55325115
5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 43236612
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40682092
[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55568016
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40682077
[2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 97310799
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55481787
[4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40576074

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 40576053) is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1cc(C)c(C(=O)COC(=O)c2cn3c(C)cccc3n2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is RKFHHZUQWCZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-8-13(2)19(14(3)9-12)17(23)11-25-20(24)16-10-22-15(4)6-5-7-18(22)21-16/h5-10H,11H2,1-4H3.
What are the key properties of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 40576053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).