4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide

C14H21N5O2S — CID 90571984

IUPAC4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C14H21N5O2S/c1-16(2)22(20,21)18-9-7-17(8-10-18)12-13-11-15-14-5-3-4-6-19(13)14/h3-6,11H,7-10,12H2,1-2H3
InChIKeyROGQRIOXKPZLRS-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.26
Rot. Bonds4

About 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 90571984) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID90571984
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C14H21N5O2S/c1-16(2)22(20,21)18-9-7-17(8-10-18)12-13-11-15-14-5-3-4-6-19(13)14/h3-6,11H,7-10,12H2,1-2H3
InChIKeyROGQRIOXKPZLRS-UHFFFAOYSA-N
XLogP0.26
TPSA61.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 90571985
3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 90571996
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 90571811
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-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
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90571889
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
CID 74246051

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 90571984) is 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(Cc2cnc3ccccn23)CC1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is ROGQRIOXKPZLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-16(2)22(20,21)18-9-7-17(8-10-18)12-13-11-15-14-5-3-4-6-19(13)14/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 90571984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).