methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate

C17H16N2O4 — CID 117256154

IUPACmethyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(COc3ccc(OC)cc3)cn2c1
InChIInChI=1S/C17H16N2O4/c1-21-14-4-6-15(7-5-14)23-11-13-10-19-9-12(17(20)22-2)3-8-16(19)18-13/h3-10H,11H2,1-2H3
InChIKeyXGDBKBCVKBUHQE-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.71
Rot. Bonds5

About methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 117256154) 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-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID117256154
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(COc3ccc(OC)cc3)cn2c1
InChIInChI=1S/C17H16N2O4/c1-21-14-4-6-15(7-5-14)23-11-13-10-19-9-12(17(20)22-2)3-8-16(19)18-13/h3-10H,11H2,1-2H3
InChIKeyXGDBKBCVKBUHQE-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-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256129
1-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82530473
methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117256159
1-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]propan-1-one
CID 112787371
N'-(4-chlorobenzoyl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzohydrazide
CID 42093678
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255839
methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256448
2-[(2-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117256132
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
6-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 83837508
methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256440
N-[(4-methoxyphenyl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24617007

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 117256154) is methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(COc3ccc(OC)cc3)cn2c1.
What is the InChIKey of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is XGDBKBCVKBUHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-14-4-6-15(7-5-14)23-11-13-10-19-9-12(17(20)22-2)3-8-16(19)18-13/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-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-6-carboxylate is sourced from PubChem (CID 117256154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).