1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone

C22H25ClN4O3S — CID 121309923

IUPAC1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1
InChIInChI=1S/C22H25ClN4O3S/c1-3-31(29,30)19-8-9-21-24-22(17-4-6-18(23)7-5-17)20(27(21)14-19)15-25-10-12-26(13-11-25)16(2)28/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyDYJCFDHYPOLNPW-UHFFFAOYSA-N
MW460.99 g/mol
LogP3.11
Rot. Bonds5

About 1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 121309923) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is 1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
PubChem CID121309923
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC Name1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1
InChIInChI=1S/C22H25ClN4O3S/c1-3-31(29,30)19-8-9-21-24-22(17-4-6-18(23)7-5-17)20(27(21)14-19)15-25-10-12-26(13-11-25)16(2)28/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyDYJCFDHYPOLNPW-UHFFFAOYSA-N
XLogP3.11
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (CID 121309923) is 1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.
What is the InChIKey of 1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is DYJCFDHYPOLNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-3-31(29,30)19-8-9-21-24-22(17-4-6-18(23)7-5-17)20(27(21)14-19)15-25-10-12-26(13-11-25)16(2)28/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of 1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 460.99 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121309923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).