2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

C28H20F2N6O4S — CID 155518411

About 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 155518411) has the molecular formula C28H20F2N6O4S and a molecular weight of 574.57 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
• PubChem CID: 155518411
• Molecular Formula: C28H20F2N6O4S
• Molecular Weight: 574.57 g/mol
• Exact Mass: 574.12
• IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
• SMILES: COc1ncc(-c2ccc3ncc(-c4nnc(-c5cccc(C)c5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C28H20F2N6O4S/c1-16-4-3-5-17(10-16)26-33-34-28(40-26)23-14-31-25-9-6-18(15-36(23)25)19-11-22(27(39-2)32-13-19)35-41(37,38)24-8-7-20(29)12-21(24)30/h3-15,35H,1-2H3
• InChIKey: FPTYQISWKNRHQX-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 124.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.57
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?

The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 155518411) is 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(-c4nnc(-c5cccc(C)c5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.

What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?

The InChIKey is FPTYQISWKNRHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F2N6O4S/c1-16-4-3-5-17(10-16)26-33-34-28(40-26)23-14-31-25-9-6-18(15-36(23)25)19-11-22(27(39-2)32-13-19)35-41(37,38)24-8-7-20(29)12-21(24)30/h3-15,35H,1-2H3.

What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?

2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 574.57 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[2-methoxy-5-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 155518411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).