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

C31H36BrN7O7S2 — CID 159270760

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1cnc2ccc(Br)cn12.Cc1cc(-c2ccc3ncc(S(=O)(=O)N(C)C4CCOC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4O4S.C12H14BrN3O3S/c1-13-8-15(10-21(2)19(13)24)14-4-5-17-20-9-18(23(17)11-14)28(25,26)22(3)16-6-7-27-12-16;1-15(10-4-5-19-8-10)20(17,18)12-6-14-11-3-2-9(13)7-16(11)12/h4-5,8-11,16H,6-7,12H2,1-3H3;2-3,6-7,10H,4-5,8H2,1H3
InChIKeyKXRJMCHOQGAVRG-UHFFFAOYSA-N
MW762.71 g/mol
LogP2.92
Rot. Bonds7

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

6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 159270760) has the molecular formula C31H36BrN7O7S2 and a molecular weight of 762.71 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID159270760
Molecular FormulaC31H36BrN7O7S2
Molecular Weight762.71 g/mol
Exact Mass761.13
IUPAC Name6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1cnc2ccc(Br)cn12.Cc1cc(-c2ccc3ncc(S(=O)(=O)N(C)C4CCOC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4O4S.C12H14BrN3O3S/c1-13-8-15(10-21(2)19(13)24)14-4-5-17-20-9-18(23(17)11-14)28(25,26)22(3)16-6-7-27-12-16;1-15(10-4-5-19-8-10)20(17,18)12-6-14-11-3-2-9(13)7-16(11)12/h4-5,8-11,16H,6-7,12H2,1-3H3;2-3,6-7,10H,4-5,8H2,1H3
InChIKeyKXRJMCHOQGAVRG-UHFFFAOYSA-N
XLogP2.92
TPSA149.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.71
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 159270760) is 6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is CN(C1CCOC1)S(=O)(=O)c1cnc2ccc(Br)cn12.Cc1cc(-c2ccc3ncc(S(=O)(=O)N(C)C4CCOC4)n3c2)cn(C)c1=O.
What is the InChIKey of 6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is KXRJMCHOQGAVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S.C12H14BrN3O3S/c1-13-8-15(10-21(2)19(13)24)14-4-5-17-20-9-18(23(17)11-14)28(25,26)22(3)16-6-7-27-12-16;1-15(10-4-5-19-8-10)20(17,18)12-6-14-11-3-2-9(13)7-16(11)12/h4-5,8-11,16H,6-7,12H2,1-3H3;2-3,6-7,10H,4-5,8H2,1H3.
What are the key properties of 6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 762.71 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 159270760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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