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

C20H26N4O3S — CID 145297532

IUPAC6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cn12
InChIInChI=1S/C20H26N4O3S/c1-4-5-6-7-10-22-28(26,27)19-12-21-18-9-8-16(14-24(18)19)17-11-15(2)20(25)23(3)13-17/h8-9,11-14,22H,4-7,10H2,1-3H3
InChIKeyUKSNUAAMVMHAFZ-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.87
Rot. Bonds8

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

6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 145297532) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID145297532
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cn12
InChIInChI=1S/C20H26N4O3S/c1-4-5-6-7-10-22-28(26,27)19-12-21-18-9-8-16(14-24(18)19)17-11-15(2)20(25)23(3)13-17/h8-9,11-14,22H,4-7,10H2,1-3H3
InChIKeyUKSNUAAMVMHAFZ-UHFFFAOYSA-N
XLogP2.87
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 129053950
1,3-dimethyl-5-[3-(N-methylanilino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070909
N-[4-(dimethylamino)butyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 167131780
N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258829
1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070485
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
CID 19681255
1,3-dimethyl-N-undecylpyrazole-4-sulfonamide
CID 19681469
1,3-dimethyl-N-octylpyrazole-4-sulfonamide
CID 19681357

Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide (CID 145297532) is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide is CCCCCCNS(=O)(=O)c1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cn12.
What is the InChIKey of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is UKSNUAAMVMHAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-4-5-6-7-10-22-28(26,27)19-12-21-18-9-8-16(14-24(18)19)17-11-15(2)20(25)23(3)13-17/h8-9,11-14,22H,4-7,10H2,1-3H3.
What are the key properties of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide?
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 145297532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).