3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C25H24F7N7O4 — CID 155826224

About 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155826224) has the molecular formula C25H24F7N7O4 and a molecular weight of 619.50 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155826224
• Molecular Formula: C25H24F7N7O4
• Molecular Weight: 619.50 g/mol
• Exact Mass: 619.18
• IUPAC Name: 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cn1cc(CN2CCN(c3nccn4c(-c5cccc(F)c5)cnc34)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H22FN7.2C2HF3O2/c1-26-14-16(12-25-26)15-27-7-9-28(10-8-27)20-21-24-13-19(29(21)6-5-23-20)17-3-2-4-18(22)11-17;2*3-2(4,5)1(6)7/h2-6,11-14H,7-10,15H2,1H3;2*(H,6,7)
• InChIKey: KFZQFOARZSCLDQ-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 129.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.50
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155826224) is 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is Cn1cc(CN2CCN(c3nccn4c(-c5cccc(F)c5)cnc34)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is KFZQFOARZSCLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7.2C2HF3O2/c1-26-14-16(12-25-26)15-27-7-9-28(10-8-27)20-21-24-13-19(29(21)6-5-23-20)17-3-2-4-18(22)11-17;2*3-2(4,5)1(6)7/h2-6,11-14H,7-10,15H2,1H3;2*(H,6,7).

What are the key properties of 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 619.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluorophenyl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155826224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).