methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate

C17H16N2O4 — CID 117256448

IUPACmethyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(COc3cccc(OC)c3)nc2c1
InChIInChI=1S/C17H16N2O4/c1-21-14-4-3-5-15(9-14)23-11-13-10-19-7-6-12(17(20)22-2)8-16(19)18-13/h3-10H,11H2,1-2H3
InChIKeyCIQADDLVOLTDPO-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.71
Rot. Bonds5

About methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate

methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 117256448) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID117256448
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(COc3cccc(OC)c3)nc2c1
InChIInChI=1S/C17H16N2O4/c1-21-14-4-3-5-15(9-14)23-11-13-10-19-7-6-12(17(20)22-2)8-16(19)18-13/h3-10H,11H2,1-2H3
InChIKeyCIQADDLVOLTDPO-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-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256440
2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117256445
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256154
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117133420
N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55576832
methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256424
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-methoxybenzoate
CID 18099535
methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117135564
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,4-dimethoxybenzamide
CID 56530511
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255839
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55527656

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate (CID 117256448) is methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2cc(COc3cccc(OC)c3)nc2c1.
What is the InChIKey of methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is CIQADDLVOLTDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-14-4-3-5-15(9-14)23-11-13-10-19-7-6-12(17(20)22-2)8-16(19)18-13/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-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-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 117256448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).