methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate

C15H13N3O2S — CID 56781581

IUPACmethyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(CSc3ccccn3)nc12
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)12-5-4-8-18-9-11(17-14(12)18)10-21-13-6-2-3-7-16-13/h2-9H,10H2,1H3
InChIKeyRMSYCMMJHDOPNL-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.81
Rot. Bonds4

About methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate

methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 56781581) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID56781581
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Namemethyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(CSc3ccccn3)nc12
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)12-5-4-8-18-9-11(17-14(12)18)10-21-13-6-2-3-7-16-13/h2-9H,10H2,1H3
InChIKeyRMSYCMMJHDOPNL-UHFFFAOYSA-N
XLogP2.81
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256742
methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117137405
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 95612525
6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 61304759
methyl 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137725
methyl 2-amino-3-pyridin-2-ylsulfanylbenzoate
CID 113333406
methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117136523
methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117137140
2-ethylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 67360702
methyl 2-bromo-3-pyridin-2-ylsulfanylpropanoate
CID 81091172

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate (CID 56781581) is methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2cc(CSc3ccccn3)nc12.
What is the InChIKey of methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is RMSYCMMJHDOPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-15(19)12-5-4-8-18-9-11(17-14(12)18)10-21-13-6-2-3-7-16-13/h2-9H,10H2,1H3.
What are the key properties of methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 299.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 56781581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).