3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid

C21H18F7N5O4S — CID 146456825

About 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid

3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 146456825) has the molecular formula C21H18F7N5O4S and a molecular weight of 569.46 g/mol. Its IUPAC name is 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
• PubChem CID: 146456825
• Molecular Formula: C21H18F7N5O4S
• Molecular Weight: 569.46 g/mol
• Exact Mass: 569.10
• IUPAC Name: 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccc(S(=O)(=O)NC23CC(C2)C3F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H17F4N5O2S.C2HF3O2/c1-9-2-3-11(31(29,30)27-18-5-10(6-18)15(18)20)4-12(9)13-7-25-17-16(24)26-14(8-28(13)17)19(21,22)23;3-2(4,5)1(6)7/h2-4,7-8,10,15,27H,5-6H2,1H3,(H2,24,26);(H,6,7)
• InChIKey: PQGQHFXDEUKCGO-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 139.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.46
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid (CID 146456825) is 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid is Cc1ccc(S(=O)(=O)NC23CC(C2)C3F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.O=C(O)C(F)(F)F.

What is the InChIKey of 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid?

The InChIKey is PQGQHFXDEUKCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O2S.C2HF3O2/c1-9-2-3-11(31(29,30)27-18-5-10(6-18)15(18)20)4-12(9)13-7-25-17-16(24)26-14(8-28(13)17)19(21,22)23;3-2(4,5)1(6)7/h2-4,7-8,10,15,27H,5-6H2,1H3,(H2,24,26);(H,6,7).

What are the key properties of 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid?

3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 569.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146456825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).