6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one

C31H36BrN7O5S2 — CID 157131454

IUPAC6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)N4CCCCC4)n3c2)cn(C)c1=O.O=S(=O)(c1cnc2ccc(Br)cn12)N1CCCCC1
InChIInChI=1S/C19H22N4O3S.C12H14BrN3O2S/c1-14-10-16(12-21(2)19(14)24)15-6-7-17-20-11-18(23(17)13-15)27(25,26)22-8-4-3-5-9-22;13-10-4-5-11-14-8-12(16(11)9-10)19(17,18)15-6-2-1-3-7-15/h6-7,10-13H,3-5,8-9H2,1-2H3;4-5,8-9H,1-3,6-7H2
InChIKeyAJCXXTRIQMFODF-UHFFFAOYSA-N
MW730.71 g/mol
LogP4.45
Rot. Bonds5

About 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one

6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (PubChem CID 157131454) has the molecular formula C31H36BrN7O5S2 and a molecular weight of 730.71 g/mol. Its IUPAC name is 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
PubChem CID157131454
Molecular FormulaC31H36BrN7O5S2
Molecular Weight730.71 g/mol
Exact Mass729.14
IUPAC Name6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)N4CCCCC4)n3c2)cn(C)c1=O.O=S(=O)(c1cnc2ccc(Br)cn12)N1CCCCC1
InChIInChI=1S/C19H22N4O3S.C12H14BrN3O2S/c1-14-10-16(12-21(2)19(14)24)15-6-7-17-20-11-18(23(17)13-15)27(25,26)22-8-4-3-5-9-22;13-10-4-5-11-14-8-12(16(11)9-10)19(17,18)15-6-2-1-3-7-15/h6-7,10-13H,3-5,8-9H2,1-2H3;4-5,8-9H,1-3,6-7H2
InChIKeyAJCXXTRIQMFODF-UHFFFAOYSA-N
XLogP4.45
TPSA131.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500730.71
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one with MolForge

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Related Compounds

6-Bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 158092952
1,3-Dimethyl-5-(3-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
CID 129070267
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-ylsulfinylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
CID 129070904
5-[3-(2,2-Dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 129070974
1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 135365906
1,3-Dimethyl-5-[3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 135365907
1,3-dimethyl-5-[3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 135365920
6-Bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 157210439
6-bromo-N-cyclopentylimidazo[1,2-a]pyridine-3-sulfonamide;N-cyclopentyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 157750785
6-bromo-3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;sulfane
CID 157759609
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The IUPAC name of 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (CID 157131454) is 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.
What is the SMILES notation for 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The canonical SMILES for 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is Cc1cc(-c2ccc3ncc(S(=O)(=O)N4CCCCC4)n3c2)cn(C)c1=O.O=S(=O)(c1cnc2ccc(Br)cn12)N1CCCCC1.
What is the InChIKey of 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The InChIKey is AJCXXTRIQMFODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S.C12H14BrN3O2S/c1-14-10-16(12-21(2)19(14)24)15-6-7-17-20-11-18(23(17)13-15)27(25,26)22-8-4-3-5-9-22;13-10-4-5-11-14-8-12(16(11)9-10)19(17,18)15-6-2-1-3-7-15/h6-7,10-13H,3-5,8-9H2,1-2H3;4-5,8-9H,1-3,6-7H2.
What are the key properties of 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one has a molecular weight of 730.71 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine;1,3-dimethyl-5-(3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is sourced from PubChem (CID 157131454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).