ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate

C18H16N2O3 — CID 4962038

IUPACethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1c(-c2ccc(C)cc2)nc2ccccn12
InChIInChI=1S/C18H16N2O3/c1-3-23-18(22)17(21)16-15(13-9-7-12(2)8-10-13)19-14-6-4-5-11-20(14)16/h4-11H,3H2,1-2H3
InChIKeyYWOUBJPQERHRGI-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.06
Rot. Bonds4

About ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate

ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate (PubChem CID 4962038) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate
PubChem CID4962038
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1c(-c2ccc(C)cc2)nc2ccccn12
InChIInChI=1S/C18H16N2O3/c1-3-23-18(22)17(21)16-15(13-9-7-12(2)8-10-13)19-14-6-4-5-11-20(14)16/h4-11H,3H2,1-2H3
InChIKeyYWOUBJPQERHRGI-UHFFFAOYSA-N
XLogP3.06
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate (CID 4962038) is ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate is CCOC(=O)C(=O)c1c(-c2ccc(C)cc2)nc2ccccn12.
What is the InChIKey of ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate?
The InChIKey is YWOUBJPQERHRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-3-23-18(22)17(21)16-15(13-9-7-12(2)8-10-13)19-14-6-4-5-11-20(14)16/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate?
ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate has a molecular weight of 308.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate is sourced from PubChem (CID 4962038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).