1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone

C24H30N4O2 — CID 112770917

IUPAC1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-4-30-21-7-5-20(6-8-21)16-24(29)27-13-11-26(12-14-27)17-22-19(3)25-23-15-18(2)9-10-28(22)23/h5-10,15H,4,11-14,16-17H2,1-3H3
InChIKeyBHYZSABCOICOCK-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.24
Rot. Bonds6

About 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone

1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone (PubChem CID 112770917) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
PubChem CID112770917
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-4-30-21-7-5-20(6-8-21)16-24(29)27-13-11-26(12-14-27)17-22-19(3)25-23-15-18(2)9-10-28(22)23/h5-10,15H,4,11-14,16-17H2,1-3H3
InChIKeyBHYZSABCOICOCK-UHFFFAOYSA-N
XLogP3.24
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone
CID 112770886
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 112806577
2-(4-ethoxyphenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 134063448
(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770870
2-(4-ethoxyphenyl)-1-[4-[(2-methylpyrimidin-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 139599072
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 75421319
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770952
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
2-(4-ethoxyphenyl)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937916
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone (CID 112770917) is 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)cc1.
What is the InChIKey of 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The InChIKey is BHYZSABCOICOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-30-21-7-5-20(6-8-21)16-24(29)27-13-11-26(12-14-27)17-22-19(3)25-23-15-18(2)9-10-28(22)23/h5-10,15H,4,11-14,16-17H2,1-3H3.
What are the key properties of 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone?
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone has a molecular weight of 406.53 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 112770917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).