methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate

C16H13FN2O3 — CID 117256294

IUPACmethyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(COc3ccc(F)cc3)n2c1
InChIInChI=1S/C16H13FN2O3/c1-21-16(20)11-2-7-15-18-8-13(19(15)9-11)10-22-14-5-3-12(17)4-6-14/h2-9H,10H2,1H3
InChIKeyJWBUPUGQNSMXEH-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.84
Rot. Bonds4

About methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 117256294) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID117256294
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Namemethyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(COc3ccc(F)cc3)n2c1
InChIInChI=1S/C16H13FN2O3/c1-21-16(20)11-2-7-15-18-8-13(19(15)9-11)10-22-14-5-3-12(17)4-6-14/h2-9H,10H2,1H3
InChIKeyJWBUPUGQNSMXEH-UHFFFAOYSA-N
XLogP2.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 44783245
methyl 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257964
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256154
methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 12988951
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117256022
CID 170307924
CID 170307924
3-ethylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 62651900
methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 38901917
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567225
methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342220
methyl 6-methoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 76849605

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 117256294) is methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2ncc(COc3ccc(F)cc3)n2c1.
What is the InChIKey of methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is JWBUPUGQNSMXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-21-16(20)11-2-7-15-18-8-13(19(15)9-11)10-22-14-5-3-12(17)4-6-14/h2-9H,10H2,1H3.
What are the key properties of methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 300.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 117256294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).