5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

C25H23F7N6O4S — CID 155826035

About 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155826035) has the molecular formula C25H23F7N6O4S and a molecular weight of 636.55 g/mol. Its IUPAC name is 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155826035
• Molecular Formula: C25H23F7N6O4S
• Molecular Weight: 636.55 g/mol
• Exact Mass: 636.14
• IUPAC Name: 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1ncsc1CN1CCN(c2nccn3c(-c4cccc(F)c4)cnc23)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H21FN6S.2C2HF3O2/c1-15-19(29-14-25-15)13-26-7-9-27(10-8-26)20-21-24-12-18(28(21)6-5-23-20)16-3-2-4-17(22)11-16;2*3-2(4,5)1(6)7/h2-6,11-12,14H,7-10,13H2,1H3;2*(H,6,7)
• InChIKey: LNOLQNINBPXHFC-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 124.16 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	636.55
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (CID 155826035) is 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is Cc1ncsc1CN1CCN(c2nccn3c(-c4cccc(F)c4)cnc23)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is LNOLQNINBPXHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6S.2C2HF3O2/c1-15-19(29-14-25-15)13-26-7-9-27(10-8-26)20-21-24-12-18(28(21)6-5-23-20)16-3-2-4-17(22)11-16;2*3-2(4,5)1(6)7/h2-6,11-12,14H,7-10,13H2,1H3;2*(H,6,7).

What are the key properties of 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?

5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 636.55 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155826035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).