ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate

C13H16N2O2 — CID 1488723

IUPACethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cc(C)cc(C)n12
InChIInChI=1S/C13H16N2O2/c1-5-17-13(16)12-10(4)14-11-7-8(2)6-9(3)15(11)12/h6-7H,5H2,1-4H3
InChIKeyHYPYGJKUZKWKQZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.44
Rot. Bonds2

About ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 1488723) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID1488723
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Nameethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cc(C)cc(C)n12
InChIInChI=1S/C13H16N2O2/c1-5-17-13(16)12-10(4)14-11-7-8(2)6-9(3)15(11)12/h6-7H,5H2,1-4H3
InChIKeyHYPYGJKUZKWKQZ-UHFFFAOYSA-N
XLogP2.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate (CID 1488723) is ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2cc(C)cc(C)n12.
What is the InChIKey of ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is HYPYGJKUZKWKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-5-17-13(16)12-10(4)14-11-7-8(2)6-9(3)15(11)12/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5,7-trimethylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 1488723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).