ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

C16H17FN2O2 — CID 138646151

IUPACethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CCC(c1ccc(F)cc1)C2
InChIInChI=1S/C16H17FN2O2/c1-2-21-16(20)14-10-19-9-12(5-8-15(19)18-14)11-3-6-13(17)7-4-11/h3-4,6-7,10,12H,2,5,8-9H2,1H3
InChIKeyUPAVZASLUUBEDO-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.93
Rot. Bonds3

About ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 138646151) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID138646151
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Nameethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CCC(c1ccc(F)cc1)C2
InChIInChI=1S/C16H17FN2O2/c1-2-21-16(20)14-10-19-9-12(5-8-15(19)18-14)11-3-6-13(17)7-4-11/h3-4,6-7,10,12H,2,5,8-9H2,1H3
InChIKeyUPAVZASLUUBEDO-UHFFFAOYSA-N
XLogP2.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (CID 138646151) is ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2c(n1)CCC(c1ccc(F)cc1)C2.
What is the InChIKey of ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is UPAVZASLUUBEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-21-16(20)14-10-19-9-12(5-8-15(19)18-14)11-3-6-13(17)7-4-11/h3-4,6-7,10,12H,2,5,8-9H2,1H3.
What are the key properties of ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 138646151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).