methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate

C13H14N2O3 — CID 146840295

IUPACmethyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCc1nc2ccc(C(=O)OC)cn2c1CC=O
InChIInChI=1S/C13H14N2O3/c1-3-10-11(6-7-16)15-8-9(13(17)18-2)4-5-12(15)14-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeySFZUMVASLHOSHC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.42
Rot. Bonds4

About methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 146840295) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID146840295
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCc1nc2ccc(C(=O)OC)cn2c1CC=O
InChIInChI=1S/C13H14N2O3/c1-3-10-11(6-7-16)15-8-9(13(17)18-2)4-5-12(15)14-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeySFZUMVASLHOSHC-UHFFFAOYSA-N
XLogP1.42
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate
CID 90446868
methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359967
methyl 3-acetyl-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 59176908
methyl 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384647
methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 12988951
methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384807
methyl 3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 114018630
methyl 3-pentan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384750
methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117256159
methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 84614376
methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 53299477
methyl 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-12-carboxylate
CID 12862360

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 146840295) is methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate is CCc1nc2ccc(C(=O)OC)cn2c1CC=O.
What is the InChIKey of methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is SFZUMVASLHOSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-10-11(6-7-16)15-8-9(13(17)18-2)4-5-12(15)14-10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 146840295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).