methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate

C16H14N2O3 — CID 42609556

IUPACmethyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(OC)cc2nc(-c3ccccc3)cn12
InChIInChI=1S/C16H14N2O3/c1-20-12-8-14(16(19)21-2)18-10-13(17-15(18)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyGJLYSQYYICFPCF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.80
Rot. Bonds3

About methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate

methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 42609556) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate
PubChem CID42609556
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(OC)cc2nc(-c3ccccc3)cn12
InChIInChI=1S/C16H14N2O3/c1-20-12-8-14(16(19)21-2)18-10-13(17-15(18)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyGJLYSQYYICFPCF-UHFFFAOYSA-N
XLogP2.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate (CID 42609556) is methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cc(OC)cc2nc(-c3ccccc3)cn12.
What is the InChIKey of methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is GJLYSQYYICFPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-12-8-14(16(19)21-2)18-10-13(17-15(18)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate?
methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 42609556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).