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

C18H26N4O2S — CID 90572032

IUPAC3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESO=S(=O)(C1CCCCC1)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C18H26N4O2S/c23-25(24,17-6-2-1-3-7-17)21-12-10-20(11-13-21)15-16-14-19-18-8-4-5-9-22(16)18/h4-5,8-9,14,17H,1-3,6-7,10-13,15H2
InChIKeySRDRGJOKSUPHKD-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.11
Rot. Bonds4

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

3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 90572032) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID90572032
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESO=S(=O)(C1CCCCC1)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C18H26N4O2S/c23-25(24,17-6-2-1-3-7-17)21-12-10-20(11-13-21)15-16-14-19-18-8-4-5-9-22(16)18/h4-5,8-9,14,17H,1-3,6-7,10-13,15H2
InChIKeySRDRGJOKSUPHKD-UHFFFAOYSA-N
XLogP2.11
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 90571984
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide
CID 90570427
3-cyclopentyl-1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 90571732
2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
CID 90571670
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 90571985
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11324351
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11278841
3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 90571996
(3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571752
(4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571771
(2-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571769

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine (CID 90572032) is 3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine is O=S(=O)(C1CCCCC1)N1CCN(Cc2cnc3ccccn23)CC1.
What is the InChIKey of 3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is SRDRGJOKSUPHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c23-25(24,17-6-2-1-3-7-17)21-12-10-20(11-13-21)15-16-14-19-18-8-4-5-9-22(16)18/h4-5,8-9,14,17H,1-3,6-7,10-13,15H2.
What are the key properties of 3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 362.50 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 90572032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).