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

C19H22N4O4S — CID 129070258

IUPAC6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCCOC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4O4S/c1-13-8-15(10-22(2)19(13)24)14-5-6-17-20-9-18(23(17)11-14)28(25,26)21-16-4-3-7-27-12-16/h5-6,8-11,16,21H,3-4,7,12H2,1-2H3
InChIKeyJRSHOBYZRMIZIO-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.47
Rot. Bonds4

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

6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 129070258) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID129070258
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCCOC4)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4O4S/c1-13-8-15(10-22(2)19(13)24)14-5-6-17-20-9-18(23(17)11-14)28(25,26)21-16-4-3-7-27-12-16/h5-6,8-11,16,21H,3-4,7,12H2,1-2H3
InChIKeyJRSHOBYZRMIZIO-UHFFFAOYSA-N
XLogP1.47
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 129070258) is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCCOC4)n3c2)cn(C)c1=O.
What is the InChIKey of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is JRSHOBYZRMIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-13-8-15(10-22(2)19(13)24)14-5-6-17-20-9-18(23(17)11-14)28(25,26)21-16-4-3-7-27-12-16/h5-6,8-11,16,21H,3-4,7,12H2,1-2H3.
What are the key properties of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 402.48 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 129070258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).