ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate

C16H20N2O5S — CID 165178177

IUPACethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
SMILESC=C(OCC)c1ccc2nc(C(=O)OCC)c(S(=O)(=O)CC)n2c1
InChIInChI=1S/C16H20N2O5S/c1-5-22-11(4)12-8-9-13-17-14(16(19)23-6-2)15(18(13)10-12)24(20,21)7-3/h8-10H,4-7H2,1-3H3
InChIKeyRFHNOTCFPOGBFR-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.31
Rot. Bonds7

About ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 165178177) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID165178177
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Nameethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
SMILESC=C(OCC)c1ccc2nc(C(=O)OCC)c(S(=O)(=O)CC)n2c1
InChIInChI=1S/C16H20N2O5S/c1-5-22-11(4)12-8-9-13-17-14(16(19)23-6-2)15(18(13)10-12)24(20,21)7-3/h8-10H,4-7H2,1-3H3
InChIKeyRFHNOTCFPOGBFR-UHFFFAOYSA-N
XLogP2.31
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate (CID 165178177) is ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate is C=C(OCC)c1ccc2nc(C(=O)OCC)c(S(=O)(=O)CC)n2c1.
What is the InChIKey of ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is RFHNOTCFPOGBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-5-22-11(4)12-8-9-13-17-14(16(19)23-6-2)15(18(13)10-12)24(20,21)7-3/h8-10H,4-7H2,1-3H3.
What are the key properties of ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 352.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 165178177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).