8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide

C17H14F3N5O4S — CID 170733496

About 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide

8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 170733496) has the molecular formula C17H14F3N5O4S and a molecular weight of 441.39 g/mol. Its IUPAC name is 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide
• PubChem CID: 170733496
• Molecular Formula: C17H14F3N5O4S
• Molecular Weight: 441.39 g/mol
• Exact Mass: 441.07
• IUPAC Name: 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide
• SMILES: COc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2c(C#N)c(C)ccn12
• InChI: InChI=1S/C17H14F3N5O4S/c1-9-3-4-25-14(7-22-15(25)10(9)6-21)30(26,27)24-12-5-11(18)16(23-17(12)28-2)29-8-13(19)20/h3-5,7,13,24H,8H2,1-2H3
• InChIKey: YYUKJFCEIJFWIC-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 118.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.39
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide?

The IUPAC name of 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide (CID 170733496) is 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide.

What is the SMILES notation for 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide?

The canonical SMILES for 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide is COc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2c(C#N)c(C)ccn12.

What is the InChIKey of 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide?

The InChIKey is YYUKJFCEIJFWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O4S/c1-9-3-4-25-14(7-22-15(25)10(9)6-21)30(26,27)24-12-5-11(18)16(23-17(12)28-2)29-8-13(19)20/h3-5,7,13,24H,8H2,1-2H3.

What are the key properties of 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide?

8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 441.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 170733496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).