N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide

C17H21F3N4O4S — CID 170733404

About N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide

N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 170733404) has the molecular formula C17H21F3N4O4S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide
• PubChem CID: 170733404
• Molecular Formula: C17H21F3N4O4S
• Molecular Weight: 434.44 g/mol
• Exact Mass: 434.12
• IUPAC Name: N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide
• SMILES: COc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2n1CCC(C)(C)C2
• InChI: InChI=1S/C17H21F3N4O4S/c1-17(2)4-5-24-13(7-17)21-8-14(24)29(25,26)23-11-6-10(18)15(22-16(11)27-3)28-9-12(19)20/h6,8,12,23H,4-5,7,9H2,1-3H3
• InChIKey: GWPSEJDLLSMPFK-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.44
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide (CID 170733404) is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide.

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

The canonical SMILES for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide is COc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2n1CCC(C)(C)C2.

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

The InChIKey is GWPSEJDLLSMPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O4S/c1-17(2)4-5-24-13(7-17)21-8-14(24)29(25,26)23-11-6-10(18)15(22-16(11)27-3)28-9-12(19)20/h6,8,12,23H,4-5,7,9H2,1-3H3.

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

N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 434.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 170733404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).