3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine

C20H24N4O2S — CID 90571985

IUPAC3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3cnc4ccccn34)CC2)c(C)c1
InChIInChI=1S/C20H24N4O2S/c1-16-6-7-19(17(2)13-16)27(25,26)23-11-9-22(10-12-23)15-18-14-21-20-5-3-4-8-24(18)20/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyRHUIPJHNTGFZMI-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.46
Rot. Bonds4

About 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine

3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 90571985) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID90571985
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3cnc4ccccn34)CC2)c(C)c1
InChIInChI=1S/C20H24N4O2S/c1-16-6-7-19(17(2)13-16)27(25,26)23-11-9-22(10-12-23)15-18-14-21-20-5-3-4-8-24(18)20/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyRHUIPJHNTGFZMI-UHFFFAOYSA-N
XLogP2.46
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 90571996
4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 90571984
3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 90572032
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 17408313
(3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571752
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-N-phenylacetamide
CID 8787728
2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 24680083
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11278841
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 28705351
2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830739

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 90571985) is 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine is Cc1ccc(S(=O)(=O)N2CCN(Cc3cnc4ccccn34)CC2)c(C)c1.
What is the InChIKey of 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is RHUIPJHNTGFZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-16-6-7-19(17(2)13-16)27(25,26)23-11-9-22(10-12-23)15-18-14-21-20-5-3-4-8-24(18)20/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 384.51 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 90571985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).