ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate

C21H22N2O4 — CID 171697851

IUPACethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)CCc1ccc(-c2cc(C(=O)OCC)cn3ccnc23)cc1
InChIInChI=1S/C21H22N2O4/c1-3-26-19(24)10-7-15-5-8-16(9-6-15)18-13-17(21(25)27-4-2)14-23-12-11-22-20(18)23/h5-6,8-9,11-14H,3-4,7,10H2,1-2H3
InChIKeyQIQANKXKEMEVSP-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.67
Rot. Bonds7

About ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate

ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 171697851) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID171697851
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)CCc1ccc(-c2cc(C(=O)OCC)cn3ccnc23)cc1
InChIInChI=1S/C21H22N2O4/c1-3-26-19(24)10-7-15-5-8-16(9-6-15)18-13-17(21(25)27-4-2)14-23-12-11-22-20(18)23/h5-6,8-9,11-14H,3-4,7,10H2,1-2H3
InChIKeyQIQANKXKEMEVSP-UHFFFAOYSA-N
XLogP3.67
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

3-[4-(6-methylimidazo[1,2-a]pyridin-8-yl)phenyl]propanoic acid
CID 167931434
ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate
CID 66591311
ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate
CID 67182542
ethyl 3-[4-(methylaminomethyl)phenyl]propanoate
CID 164606778
ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate
CID 174402402
ethyl 3-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]propanoate
CID 156767959
ethyl 3-(3-ethoxy-3-oxopropyl)-5-fluorobenzoate
CID 134645106
ethyl 3-indolizin-2-ylpropanoate
CID 58034228
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 8-aminoindolizine-2-carboxylate
CID 131575928
ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 76849694

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 171697851) is ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate is CCOC(=O)CCc1ccc(-c2cc(C(=O)OCC)cn3ccnc23)cc1.
What is the InChIKey of ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is QIQANKXKEMEVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-26-19(24)10-7-15-5-8-16(9-6-15)18-13-17(21(25)27-4-2)14-23-12-11-22-20(18)23/h5-6,8-9,11-14H,3-4,7,10H2,1-2H3.
What are the key properties of ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate?
ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 171697851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).