N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide

C22H21F2N7O3S — CID 156840451

About N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide (PubChem CID 156840451) has the molecular formula C22H21F2N7O3S and a molecular weight of 501.52 g/mol. Its IUPAC name is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide.

Molecular Properties

• Compound Name: N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide
• PubChem CID: 156840451
• Molecular Formula: C22H21F2N7O3S
• Molecular Weight: 501.52 g/mol
• Exact Mass: 501.14
• IUPAC Name: N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide
• SMILES: O=S(=O)(N1CC2(CNC2)C1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1ccccc1
• InChI: InChI=1S/C22H21F2N7O3S/c23-19(24)21-28-27-20(34-21)15-6-7-29-9-16(26-18(29)8-15)10-31(17-4-2-1-3-5-17)35(32,33)30-13-22(14-30)11-25-12-22/h1-9,19,25H,10-14H2
• InChIKey: XRJMLOTYFTZJLT-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 108.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.52
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
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]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide?

The IUPAC name of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide (CID 156840451) is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-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]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide?

The canonical SMILES for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide is O=S(=O)(N1CC2(CNC2)C1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1ccccc1.

What is the InChIKey of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide?

The InChIKey is XRJMLOTYFTZJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O3S/c23-19(24)21-28-27-20(34-21)15-6-7-29-9-16(26-18(29)8-15)10-31(17-4-2-1-3-5-17)35(32,33)30-13-22(14-30)11-25-12-22/h1-9,19,25H,10-14H2.

What are the key properties of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide?

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide has a molecular weight of 501.52 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 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]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide is sourced from PubChem (CID 156840451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).