6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide

C25H28BrN7O5S2 — CID 158903575

IUPAC6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCCNS(=O)(=O)c1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cn12.CCNS(=O)(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C16H18N4O3S.C9H10BrN3O2S/c1-4-18-24(22,23)15-8-17-14-6-5-12(10-20(14)15)13-7-11(2)16(21)19(3)9-13;1-2-12-16(14,15)9-5-11-8-4-3-7(10)6-13(8)9/h5-10,18H,4H2,1-3H3;3-6,12H,2H2,1H3
InChIKeyJFTGAWVKSHFNLD-UHFFFAOYSA-N
MW650.58 g/mol
LogP2.70
Rot. Bonds7

About 6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide

6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 158903575) has the molecular formula C25H28BrN7O5S2 and a molecular weight of 650.58 g/mol. Its IUPAC name is 6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID158903575
Molecular FormulaC25H28BrN7O5S2
Molecular Weight650.58 g/mol
Exact Mass649.08
IUPAC Name6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCCNS(=O)(=O)c1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cn12.CCNS(=O)(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C16H18N4O3S.C9H10BrN3O2S/c1-4-18-24(22,23)15-8-17-14-6-5-12(10-20(14)15)13-7-11(2)16(21)19(3)9-13;1-2-12-16(14,15)9-5-11-8-4-3-7(10)6-13(8)9/h5-10,18H,4H2,1-3H3;3-6,12H,2H2,1H3
InChIKeyJFTGAWVKSHFNLD-UHFFFAOYSA-N
XLogP2.70
TPSA148.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.58
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 58345082
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide
CID 129053937
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053959
N-cyclohexyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053961
N-cyclopentyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053992
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053993
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129070258
1,3-Dimethyl-5-(3-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
CID 129070267
1,3-Dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
CID 129070268
1,3-Dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
CID 129070396
1,3-Dimethyl-5-(3-piperidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
CID 129070400
5-[3-(Cyclopentylamino)sulfanylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 129070405

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide (CID 158903575) is 6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide is CCNS(=O)(=O)c1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cn12.CCNS(=O)(=O)c1cnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is JFTGAWVKSHFNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S.C9H10BrN3O2S/c1-4-18-24(22,23)15-8-17-14-6-5-12(10-20(14)15)13-7-11(2)16(21)19(3)9-13;1-2-12-16(14,15)9-5-11-8-4-3-7(10)6-13(8)9/h5-10,18H,4H2,1-3H3;3-6,12H,2H2,1H3.
What are the key properties of 6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide?
6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 650.58 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 158903575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).