2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone

C23H26N4O2 — CID 110498326

IUPAC2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
SMILESCc1cn2cccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c2n1
InChIInChI=1S/C23H26N4O2/c1-19-17-27-12-6-10-21(23(27)24-19)29-18-22(28)26-15-13-25(14-16-26)11-5-9-20-7-3-2-4-8-20/h2-10,12,17H,11,13-16,18H2,1H3/b9-5+
InChIKeyUELVDFODNHVRBS-WEVVVXLNSA-N
MW390.49 g/mol
LogP2.88
Rot. Bonds6

About 2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone

2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone (PubChem CID 110498326) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
PubChem CID110498326
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
SMILESCc1cn2cccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c2n1
InChIInChI=1S/C23H26N4O2/c1-19-17-27-12-6-10-21(23(27)24-19)29-18-22(28)26-15-13-25(14-16-26)11-5-9-20-7-3-2-4-8-20/h2-10,12,17H,11,13-16,18H2,1H3/b9-5+
InChIKeyUELVDFODNHVRBS-WEVVVXLNSA-N
XLogP2.88
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone
CID 110498271
1-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]piperidin-4-one
CID 110498338
2-(2-fluorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977261
2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile
CID 4885426
1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone
CID 110498300
8-(2-oxo-2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055667
2-(3-ethoxyphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977748
2-(2-ethoxyanilino)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 109004575
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]benzonitrile
CID 2435532
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone (CID 110498326) is 2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is Cc1cn2cccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c2n1.
What is the InChIKey of 2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The InChIKey is UELVDFODNHVRBS-WEVVVXLNSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-19-17-27-12-6-10-21(23(27)24-19)29-18-22(28)26-15-13-25(14-16-26)11-5-9-20-7-3-2-4-8-20/h2-10,12,17H,11,13-16,18H2,1H3/b9-5+.
What are the key properties of 2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone has a molecular weight of 390.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110498326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).