ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate

C21H22N4O4 — CID 157389641

IUPACethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccccn2c1C.COC(=O)c1nc2ccccn2c1C
InChIInChI=1S/C11H12N2O2.C10H10N2O2/c1-3-15-11(14)10-8(2)13-7-5-4-6-9(13)12-10;1-7-9(10(13)14-2)11-8-5-3-4-6-12(7)8/h4-7H,3H2,1-2H3;3-6H,1-2H3
InChIKeyBLVQUYXYZUBHSB-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.25
Rot. Bonds3

About ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate

ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 157389641) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID157389641
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Nameethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccccn2c1C.COC(=O)c1nc2ccccn2c1C
InChIInChI=1S/C11H12N2O2.C10H10N2O2/c1-3-15-11(14)10-8(2)13-7-5-4-6-9(13)12-10;1-7-9(10(13)14-2)11-8-5-3-4-6-12(7)8/h4-7H,3H2,1-2H3;3-6H,1-2H3
InChIKeyBLVQUYXYZUBHSB-UHFFFAOYSA-N
XLogP3.25
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 717824
Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 821015
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate
CID 11736475
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
Ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 10567382
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
Ethyl 2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 2764795

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 157389641) is ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccccn2c1C.COC(=O)c1nc2ccccn2c1C.
What is the InChIKey of ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is BLVQUYXYZUBHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C10H10N2O2/c1-3-15-11(14)10-8(2)13-7-5-4-6-9(13)12-10;1-7-9(10(13)14-2)11-8-5-3-4-6-12(7)8/h4-7H,3H2,1-2H3;3-6H,1-2H3.
What are the key properties of ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 157389641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).