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

C28H27F2N7O4S — CID 155542984

About 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 155542984) has the molecular formula C28H27F2N7O4S and a molecular weight of 595.63 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
• PubChem CID: 155542984
• Molecular Formula: C28H27F2N7O4S
• Molecular Weight: 595.63 g/mol
• Exact Mass: 595.18
• IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
• SMILES: COc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCCCC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C28H27F2N7O4S/c1-40-27-22(35-42(38,39)24-7-6-20(29)14-21(24)30)13-19(15-32-27)18-5-8-25-31-16-23(37(25)17-18)28-34-33-26(41-28)9-12-36-10-3-2-4-11-36/h5-8,13-17,35H,2-4,9-12H2,1H3
• InChIKey: WWDWBZSQWDMJFH-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 127.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.63
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 155542984) is 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCCCC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.

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

The InChIKey is WWDWBZSQWDMJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N7O4S/c1-40-27-22(35-42(38,39)24-7-6-20(29)14-21(24)30)13-19(15-32-27)18-5-8-25-31-16-23(37(25)17-18)28-34-33-26(41-28)9-12-36-10-3-2-4-11-36/h5-8,13-17,35H,2-4,9-12H2,1H3.

What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 595.63 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 155542984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).