methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate

C15H12FN3O2S — CID 10914104

IUPACmethyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N)c(Sc3ccc(F)cc3)n2c1
InChIInChI=1S/C15H12FN3O2S/c1-21-15(20)9-2-7-12-18-13(17)14(19(12)8-9)22-11-5-3-10(16)4-6-11/h2-8H,17H2,1H3
InChIKeyFAABXUCUCBNWFD-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.99
Rot. Bonds3

About methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate

methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 10914104) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID10914104
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Namemethyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N)c(Sc3ccc(F)cc3)n2c1
InChIInChI=1S/C15H12FN3O2S/c1-21-15(20)9-2-7-12-18-13(17)14(19(12)8-9)22-11-5-3-10(16)4-6-11/h2-8H,17H2,1H3
InChIKeyFAABXUCUCBNWFD-UHFFFAOYSA-N
XLogP2.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
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
2-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 3508614
Methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359438
Methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359845
Methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359846
Methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359847
Methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359967
Methyl 2-cyclohexyl-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 51359968
Methyl 3-(cyclohexylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299401
Methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299416

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate (CID 10914104) is methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(N)c(Sc3ccc(F)cc3)n2c1.
What is the InChIKey of methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is FAABXUCUCBNWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-21-15(20)9-2-7-12-18-13(17)14(19(12)8-9)22-11-5-3-10(16)4-6-11/h2-8H,17H2,1H3.
What are the key properties of methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 10914104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).