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

C15H12N2O2 — CID 66687377

IUPACmethyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)n2ccnc2c1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)12-9-13(11-5-3-2-4-6-11)17-8-7-16-14(17)10-12/h2-10H,1H3
InChIKeyHTGIIEMVBJAHAZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.79
Rot. Bonds2

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

methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 66687377) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID66687377
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namemethyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)n2ccnc2c1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)12-9-13(11-5-3-2-4-6-11)17-8-7-16-14(17)10-12/h2-10H,1H3
InChIKeyHTGIIEMVBJAHAZ-UHFFFAOYSA-N
XLogP2.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-methoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 155234885
5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
CID 71365622
methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate
CID 90383278
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 3-methoxy-5-phenylbenzoate
CID 71086676
dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate
CID 145097704
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-formyl-5-phenylbenzoate
CID 88561174
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate
CID 117145201
[3,5-bis(methoxycarbonyl)phenyl]-diphenylsulfanium
CID 171721708
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate (CID 66687377) is methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1cc(-c2ccccc2)n2ccnc2c1.
What is the InChIKey of methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is HTGIIEMVBJAHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-15(18)12-9-13(11-5-3-2-4-6-11)17-8-7-16-14(17)10-12/h2-10H,1H3.
What are the key properties of methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate?
methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 66687377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).