6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine

C12H14BrN3O2S — CID 129053936

IUPAC6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine
SMILESCC1CCCN1S(=O)(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3O2S/c1-9-3-2-6-16(9)19(17,18)12-7-14-11-5-4-10(13)8-15(11)12/h4-5,7-9H,2-3,6H2,1H3
InChIKeyJBGCOQPODCGRMY-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.27
Rot. Bonds2

About 6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine

6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine (PubChem CID 129053936) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine
PubChem CID129053936
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine
SMILESCC1CCCN1S(=O)(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3O2S/c1-9-3-2-6-16(9)19(17,18)12-7-14-11-5-4-10(13)8-15(11)12/h4-5,7-9H,2-3,6H2,1H3
InChIKeyJBGCOQPODCGRMY-UHFFFAOYSA-N
XLogP2.27
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 135365906
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
CID 5025166
1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404
2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
CID 60974393
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62150356
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 65206811
4-bromo-1-chloro-7-[(2S)-2-methylpyrrolidin-1-yl]sulfonylisoquinoline
CID 54067483
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 54882639
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine
CID 126823017
2-ethoxy-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyridine
CID 97348801

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine (CID 129053936) is 6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine is CC1CCCN1S(=O)(=O)c1cnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine?
The InChIKey is JBGCOQPODCGRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-9-3-2-6-16(9)19(17,18)12-7-14-11-5-4-10(13)8-15(11)12/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine?
6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine has a molecular weight of 344.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine is sourced from PubChem (CID 129053936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).