[4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate

C23H21F6N5O4S — CID 174242958

About [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate

[4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate (PubChem CID 174242958) has the molecular formula C23H21F6N5O4S and a molecular weight of 577.51 g/mol. Its IUPAC name is [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
• PubChem CID: 174242958
• Molecular Formula: C23H21F6N5O4S
• Molecular Weight: 577.51 g/mol
• Exact Mass: 577.12
• IUPAC Name: [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
• SMILES: Cc1ccc(S(=O)(=O)NC23CCC(OC(=O)C(F)(F)F)(CC2)C3)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
• InChI: InChI=1S/C23H21F6N5O4S/c1-12-2-3-13(8-14(12)15-9-31-18-17(30)32-16(10-34(15)18)22(24,25)26)39(36,37)33-20-4-6-21(11-20,7-5-20)38-19(35)23(27,28)29/h2-3,8-10,33H,4-7,11H2,1H3,(H2,30,32)
• InChIKey: WOEMQEUURGWQFX-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 128.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.51
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate?

The IUPAC name of [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate (CID 174242958) is [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate.

What is the SMILES notation for [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate?

The canonical SMILES for [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate is Cc1ccc(S(=O)(=O)NC23CCC(OC(=O)C(F)(F)F)(CC2)C3)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.

What is the InChIKey of [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate?

The InChIKey is WOEMQEUURGWQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F6N5O4S/c1-12-2-3-13(8-14(12)15-9-31-18-17(30)32-16(10-34(15)18)22(24,25)26)39(36,37)33-20-4-6-21(11-20,7-5-20)38-19(35)23(27,28)29/h2-3,8-10,33H,4-7,11H2,1H3,(H2,30,32).

What are the key properties of [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate?

[4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate has a molecular weight of 577.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 174242958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).