methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate

C17H16N2O4 — CID 117255839

IUPACmethyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(COc3ccc(OC)cc3)cn12
InChIInChI=1S/C17H16N2O4/c1-21-13-6-8-14(9-7-13)23-11-12-10-19-15(17(20)22-2)4-3-5-16(19)18-12/h3-10H,11H2,1-2H3
InChIKeyQSOJEWDQJICPHE-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.71
Rot. Bonds5

About methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 117255839) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID117255839
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(COc3ccc(OC)cc3)cn12
InChIInChI=1S/C17H16N2O4/c1-21-13-6-8-14(9-7-13)23-11-12-10-19-15(17(20)22-2)4-3-5-16(19)18-12/h3-10H,11H2,1-2H3
InChIKeyQSOJEWDQJICPHE-UHFFFAOYSA-N
XLogP2.71
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255825
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255815
2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255832
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256154
2-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255822
methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 67449555
methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 167913159
methyl 2-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257668
methyl 2-phenylimidazo[1,2-a]pyridine-5-carboxylate
CID 117133039
5-chloro-2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255753
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
methyl 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117131444

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 117255839) is methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(COc3ccc(OC)cc3)cn12.
What is the InChIKey of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is QSOJEWDQJICPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-13-6-8-14(9-7-13)23-11-12-10-19-15(17(20)22-2)4-3-5-16(19)18-12/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 117255839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).