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

C21H23ClN4OS — CID 121309917

IUPAC1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCSc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1
InChIInChI=1S/C21H23ClN4OS/c1-15(27)25-11-9-24(10-12-25)14-19-21(16-3-5-17(22)6-4-16)23-20-8-7-18(28-2)13-26(19)20/h3-8,13H,9-12,14H2,1-2H3
InChIKeyMPUMSZSKQOLNHP-UHFFFAOYSA-N
MW414.96 g/mol
LogP4.04
Rot. Bonds4

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

1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 121309917) has the molecular formula C21H23ClN4OS and a molecular weight of 414.96 g/mol. Its IUPAC name is 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
PubChem CID121309917
Molecular FormulaC21H23ClN4OS
Molecular Weight414.96 g/mol
Exact Mass414.13
IUPAC Name1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCSc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1
InChIInChI=1S/C21H23ClN4OS/c1-15(27)25-11-9-24(10-12-25)14-19-21(16-3-5-17(22)6-4-16)23-20-8-7-18(28-2)13-26(19)20/h3-8,13H,9-12,14H2,1-2H3
InChIKeyMPUMSZSKQOLNHP-UHFFFAOYSA-N
XLogP4.04
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (CID 121309917) is 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is CSc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.
What is the InChIKey of 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is MPUMSZSKQOLNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4OS/c1-15(27)25-11-9-24(10-12-25)14-19-21(16-3-5-17(22)6-4-16)23-20-8-7-18(28-2)13-26(19)20/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 414.96 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121309917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).