3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine

C19H21FN4O3S — CID 90571996

IUPAC3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C19H21FN4O3S/c1-27-17-6-5-15(20)12-18(17)28(25,26)23-10-8-22(9-11-23)14-16-13-21-19-4-2-3-7-24(16)19/h2-7,12-13H,8-11,14H2,1H3
InChIKeyJJYPEWAROOLWMX-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.99
Rot. Bonds5

About 3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine

3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 90571996) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID90571996
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C19H21FN4O3S/c1-27-17-6-5-15(20)12-18(17)28(25,26)23-10-8-22(9-11-23)14-16-13-21-19-4-2-3-7-24(16)19/h2-7,12-13H,8-11,14H2,1H3
InChIKeyJJYPEWAROOLWMX-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 6499746
3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 90571985
4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 90571984
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 90571811
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 35881835
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 8818419
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534067
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
1-(2-chlorophenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 38749302
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 90572032
2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463893

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 90571996) is 3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine is COc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2cnc3ccccn23)CC1.
What is the InChIKey of 3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is JJYPEWAROOLWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-27-17-6-5-15(20)12-18(17)28(25,26)23-10-8-22(9-11-23)14-16-13-21-19-4-2-3-7-24(16)19/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 404.47 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 90571996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).