ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate

C17H16ClFN2O2 — CID 67963133

IUPACethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)C1C(c2ccc(F)cc2)N=C2C=C(C)C(Cl)=CN21
InChIInChI=1S/C17H16ClFN2O2/c1-3-23-17(22)16-15(11-4-6-12(19)7-5-11)20-14-8-10(2)13(18)9-21(14)16/h4-9,15-16H,3H2,1-2H3
InChIKeyZTKFIBXPGXXGRS-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.55
Rot. Bonds3

About ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 67963133) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID67963133
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Nameethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)C1C(c2ccc(F)cc2)N=C2C=C(C)C(Cl)=CN21
InChIInChI=1S/C17H16ClFN2O2/c1-3-23-17(22)16-15(11-4-6-12(19)7-5-11)20-14-8-10(2)13(18)9-21(14)16/h4-9,15-16H,3H2,1-2H3
InChIKeyZTKFIBXPGXXGRS-UHFFFAOYSA-N
XLogP3.55
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate (CID 67963133) is ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)C1C(c2ccc(F)cc2)N=C2C=C(C)C(Cl)=CN21.
What is the InChIKey of ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is ZTKFIBXPGXXGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-3-23-17(22)16-15(11-4-6-12(19)7-5-11)20-14-8-10(2)13(18)9-21(14)16/h4-9,15-16H,3H2,1-2H3.
What are the key properties of ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 334.78 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 67963133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).