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

C20H15FN2O2S — CID 51359847

IUPACmethyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C20H15FN2O2S/c1-25-20(24)15-4-7-18-22-19(14-2-5-16(21)6-3-14)17(23(18)11-15)10-13-8-9-26-12-13/h2-9,11-12H,10H2,1H3
InChIKeyVNLLZJGYZSGINC-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.58
Rot. Bonds4

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

methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359847) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359847
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Namemethyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C20H15FN2O2S/c1-25-20(24)15-4-7-18-22-19(14-2-5-16(21)6-3-14)17(23(18)11-15)10-13-8-9-26-12-13/h2-9,11-12H,10H2,1H3
InChIKeyVNLLZJGYZSGINC-UHFFFAOYSA-N
XLogP4.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 39
CID 5330636
Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
2-[4-(Methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 1482206
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867
ethyl 2-(6-phenylpyrrolo[2,3-b]pyrazin-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 118712842
Methyl 2-[4-(methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 1482203
Methyl 3-benzyl-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359030
Methyl 3-[(4-methylphenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359034
Methyl 2-(3-bromophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359848
Methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299407
Methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299415
2-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 3508614

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 51359847) is methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccsc3)n2c1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is VNLLZJGYZSGINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-25-20(24)15-4-7-18-22-19(14-2-5-16(21)6-3-14)17(23(18)11-15)10-13-8-9-26-12-13/h2-9,11-12H,10H2,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).