ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate

C17H16N2O2 — CID 1473603

IUPACethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2cc(C)ccn12
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)16-15(13-7-5-4-6-8-13)18-14-11-12(2)9-10-19(14)16/h4-11H,3H2,1-2H3
InChIKeyZFVHFQJRAAKKTD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.49
Rot. Bonds3

About ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 1473603) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID1473603
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Nameethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2cc(C)ccn12
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)16-15(13-7-5-4-6-8-13)18-14-11-12(2)9-10-19(14)16/h4-11H,3H2,1-2H3
InChIKeyZFVHFQJRAAKKTD-UHFFFAOYSA-N
XLogP3.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate (CID 1473603) is ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)nc2cc(C)ccn12.
What is the InChIKey of ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is ZFVHFQJRAAKKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-21-17(20)16-15(13-7-5-4-6-8-13)18-14-11-12(2)9-10-19(14)16/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 1473603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).