1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

C21H24N4O3 — CID 90571811

IUPAC1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C21H24N4O3/c1-27-18-6-2-3-7-19(18)28-16-21(26)24-12-10-23(11-13-24)15-17-14-22-20-8-4-5-9-25(17)20/h2-9,14H,10-13,15-16H2,1H3
InChIKeySWIIHOJBIYMEAM-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.07
Rot. Bonds6

About 1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (PubChem CID 90571811) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
PubChem CID90571811
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C21H24N4O3/c1-27-18-6-2-3-7-19(18)28-16-21(26)24-12-10-23(11-13-24)15-17-14-22-20-8-4-5-9-25(17)20/h2-9,14H,10-13,15-16H2,1H3
InChIKeySWIIHOJBIYMEAM-UHFFFAOYSA-N
XLogP2.07
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 110709120
2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 172662427
2-(2-methoxyphenoxy)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073699
(4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571771
3-cyclopentyl-1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 90571732
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90571697
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
1-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110399292
2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 56803236
3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 90571996
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90571889

Frequently Asked Questions

What is the IUPAC name of 1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (CID 90571811) is 1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)N1CCN(Cc2cnc3ccccn23)CC1.
What is the InChIKey of 1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The InChIKey is SWIIHOJBIYMEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-18-6-2-3-7-19(18)28-16-21(26)24-12-10-23(11-13-24)15-17-14-22-20-8-4-5-9-25(17)20/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of 1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone has a molecular weight of 380.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 90571811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).