8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

C24H24F3N5O4 — CID 171695563

About 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 171695563) has the molecular formula C24H24F3N5O4 and a molecular weight of 503.48 g/mol. Its IUPAC name is 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
• PubChem CID: 171695563
• Molecular Formula: C24H24F3N5O4
• Molecular Weight: 503.48 g/mol
• Exact Mass: 503.18
• IUPAC Name: 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(-c2cnc3c(N4CCN(Cc5ccco5)CC4)nccn23)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H23N5O2.C2HF3O2/c1-28-18-6-4-17(5-7-18)20-15-24-22-21(23-8-9-27(20)22)26-12-10-25(11-13-26)16-19-3-2-14-29-19;3-2(4,5)1(6)7/h2-9,14-15H,10-13,16H2,1H3;(H,6,7)
• InChIKey: ZCZNNIYVJLGZBT-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 96.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.48
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?

The IUPAC name of 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 171695563) is 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is COc1ccc(-c2cnc3c(N4CCN(Cc5ccco5)CC4)nccn23)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?

The InChIKey is ZCZNNIYVJLGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.C2HF3O2/c1-28-18-6-4-17(5-7-18)20-15-24-22-21(23-8-9-27(20)22)26-12-10-25(11-13-26)16-19-3-2-14-29-19;3-2(4,5)1(6)7/h2-9,14-15H,10-13,16H2,1H3;(H,6,7).

What are the key properties of 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?

8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 503.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171695563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).