5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide

C22H15F2N9O3S — CID 164593879

About 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide

5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 164593879) has the molecular formula C22H15F2N9O3S and a molecular weight of 523.49 g/mol. Its IUPAC name is 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
• PubChem CID: 164593879
• Molecular Formula: C22H15F2N9O3S
• Molecular Weight: 523.49 g/mol
• Exact Mass: 523.10
• IUPAC Name: 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
• SMILES: COc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(-c4n[nH]c(C)n4)c3cn2)c1F
• InChI: InChI=1S/C22H15F2N9O3S/c1-11-29-21(31-30-11)20-16-8-26-15(9-33(16)10-28-20)18-13(23)3-4-14(19(18)24)32-37(34,35)17-5-12(6-25)7-27-22(17)36-2/h3-5,7-10,32H,1-2H3,(H,29,30,31)
• InChIKey: PESWOVQPITUCCT-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 163.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.49
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?

The IUPAC name of 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (CID 164593879) is 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

What is the SMILES notation for 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?

The canonical SMILES for 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(-c4n[nH]c(C)n4)c3cn2)c1F.

What is the InChIKey of 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?

The InChIKey is PESWOVQPITUCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N9O3S/c1-11-29-21(31-30-11)20-16-8-26-15(9-33(16)10-28-20)18-13(23)3-4-14(19(18)24)32-37(34,35)17-5-12(6-25)7-27-22(17)36-2/h3-5,7-10,32H,1-2H3,(H,29,30,31).

What are the key properties of 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?

5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 523.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164593879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).