6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine

C18H18BrClN4O2S — CID 55831602

IUPAC6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cn3cc(Br)ccc3n2)CC1
InChIInChI=1S/C18H18BrClN4O2S/c19-14-1-6-18-21-16(13-23(18)11-14)12-22-7-9-24(10-8-22)27(25,26)17-4-2-15(20)3-5-17/h1-6,11,13H,7-10,12H2
InChIKeyMTOYHBGNVCUYCF-UHFFFAOYSA-N
MW469.79 g/mol
LogP3.26
Rot. Bonds4

About 6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine

6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 55831602) has the molecular formula C18H18BrClN4O2S and a molecular weight of 469.79 g/mol. Its IUPAC name is 6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID55831602
Molecular FormulaC18H18BrClN4O2S
Molecular Weight469.79 g/mol
Exact Mass468.00
IUPAC Name6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cn3cc(Br)ccc3n2)CC1
InChIInChI=1S/C18H18BrClN4O2S/c19-14-1-6-18-21-16(13-23(18)11-14)12-22-7-9-24(10-8-22)27(25,26)17-4-2-15(20)3-5-17/h1-6,11,13H,7-10,12H2
InChIKeyMTOYHBGNVCUYCF-UHFFFAOYSA-N
XLogP3.26
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.79
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 22197062
2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 42889667
1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 1122511
6-bromo-2-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56555408
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 17488115
1-(4-chlorophenyl)sulfonyl-4-[(3-chloro-4-pyridinyl)methyl]piperazine
CID 126766793
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-6-chloro-3H-quinazolin-4-one
CID 135940479
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22197125
1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine
CID 9301421
5-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 146084118
[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 56555537
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 63310199

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 55831602) is 6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cn3cc(Br)ccc3n2)CC1.
What is the InChIKey of 6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is MTOYHBGNVCUYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN4O2S/c19-14-1-6-18-21-16(13-23(18)11-14)12-22-7-9-24(10-8-22)27(25,26)17-4-2-15(20)3-5-17/h1-6,11,13H,7-10,12H2.
What are the key properties of 6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 469.79 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 55831602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).