N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H19FN8O4S — CID 71281463

About N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71281463) has the molecular formula C23H19FN8O4S and a molecular weight of 522.52 g/mol. Its IUPAC name is N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71281463
• Molecular Formula: C23H19FN8O4S
• Molecular Weight: 522.52 g/mol
• Exact Mass: 522.12
• IUPAC Name: N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cn1cc(S(=O)(=O)N2CC(c3nc(-c4ccc(F)c(NC(=O)c5cnc6ccccn56)c4)no3)C2)cn1
• InChI: InChI=1S/C23H19FN8O4S/c1-30-13-16(9-26-30)37(34,35)31-11-15(12-31)23-28-21(29-36-23)14-5-6-17(24)18(8-14)27-22(33)19-10-25-20-4-2-3-7-32(19)20/h2-10,13,15H,11-12H2,1H3,(H,27,33)
• InChIKey: RMUUCNOTIRFOEI-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 140.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.52
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71281463) is N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cn1cc(S(=O)(=O)N2CC(c3nc(-c4ccc(F)c(NC(=O)c5cnc6ccccn56)c4)no3)C2)cn1.

What is the InChIKey of N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is RMUUCNOTIRFOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN8O4S/c1-30-13-16(9-26-30)37(34,35)31-11-15(12-31)23-28-21(29-36-23)14-5-6-17(24)18(8-14)27-22(33)19-10-25-20-4-2-3-7-32(19)20/h2-10,13,15H,11-12H2,1H3,(H,27,33).

What are the key properties of N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 522.52 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71281463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).