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

C18H20N4O4S — CID 129053993

IUPAC6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCOC4)n3c2)cn(C)c1=O
InChIInChI=1S/C18H20N4O4S/c1-12-7-14(9-21(2)18(12)23)13-3-4-16-19-8-17(22(16)10-13)27(24,25)20-15-5-6-26-11-15/h3-4,7-10,15,20H,5-6,11H2,1-2H3
InChIKeyPCFAFRQTCBCWQS-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.08
Rot. Bonds4

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

6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 129053993) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID129053993
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCOC4)n3c2)cn(C)c1=O
InChIInChI=1S/C18H20N4O4S/c1-12-7-14(9-21(2)18(12)23)13-3-4-16-19-8-17(22(16)10-13)27(24,25)20-15-5-6-26-11-15/h3-4,7-10,15,20H,5-6,11H2,1-2H3
InChIKeyPCFAFRQTCBCWQS-UHFFFAOYSA-N
XLogP1.08
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.08
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-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 129053993) is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCOC4)n3c2)cn(C)c1=O.
What is the InChIKey of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is PCFAFRQTCBCWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-12-7-14(9-21(2)18(12)23)13-3-4-16-19-8-17(22(16)10-13)27(24,25)20-15-5-6-26-11-15/h3-4,7-10,15,20H,5-6,11H2,1-2H3.
What are the key properties of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 388.45 g/mol, XLogP of 1.08, 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-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 129053993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).