N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide

C23H24F3N7O3S — CID 156840481

About N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide (PubChem CID 156840481) has the molecular formula C23H24F3N7O3S and a molecular weight of 535.55 g/mol. Its IUPAC name is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide.

Molecular Properties

• Compound Name: N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide
• PubChem CID: 156840481
• Molecular Formula: C23H24F3N7O3S
• Molecular Weight: 535.55 g/mol
• Exact Mass: 535.16
• IUPAC Name: N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide
• SMILES: CCN1CCN(S(=O)(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2cccc(F)c2)CC1
• InChI: InChI=1S/C23H24F3N7O3S/c1-2-30-8-10-32(11-9-30)37(34,35)33(19-5-3-4-17(24)13-19)15-18-14-31-7-6-16(12-20(31)27-18)22-28-29-23(36-22)21(25)26/h3-7,12-14,21H,2,8-11,15H2,1H3
• InChIKey: QWBDZGQGMCDIMW-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 100.08 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.55
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide?

The IUPAC name of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide (CID 156840481) is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide.

What is the SMILES notation for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide?

The canonical SMILES for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide is CCN1CCN(S(=O)(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2cccc(F)c2)CC1.

What is the InChIKey of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide?

The InChIKey is QWBDZGQGMCDIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O3S/c1-2-30-8-10-32(11-9-30)37(34,35)33(19-5-3-4-17(24)13-19)15-18-14-31-7-6-16(12-20(31)27-18)22-28-29-23(36-22)21(25)26/h3-7,12-14,21H,2,8-11,15H2,1H3.

What are the key properties of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide?

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide has a molecular weight of 535.55 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 156840481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).