3-(1-methylpyrazol-4-yl)-8-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C24H25F6N7O4S — CID 155842610

About 3-(1-methylpyrazol-4-yl)-8-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

3-(1-methylpyrazol-4-yl)-8-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155842610) has the molecular formula C24H25F6N7O4S and a molecular weight of 621.56 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-8-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-(1-methylpyrazol-4-yl)-8-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155842610
• Molecular Formula: C24H25F6N7O4S
• Molecular Weight: 621.56 g/mol
• Exact Mass: 621.16
• IUPAC Name: 3-(1-methylpyrazol-4-yl)-8-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1ccc(CN2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H23N7S.2C2HF3O2/c1-15-3-4-17(28-15)14-25-7-9-26(10-8-25)19-20-22-12-18(27(20)6-5-21-19)16-11-23-24(2)13-16;2*3-2(4,5)1(6)7/h3-6,11-13H,7-10,14H2,1-2H3;2*(H,6,7)
• InChIKey: CCXXGSXFGMDYEF-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 129.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	621.56
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-(1-methylpyrazol-4-yl)-8-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155842610) is 3-(1-methylpyrazol-4-yl)-8-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 3-(1-methylpyrazol-4-yl)-8-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is Cc1ccc(CN2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is CCXXGSXFGMDYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7S.2C2HF3O2/c1-15-3-4-17(28-15)14-25-7-9-26(10-8-25)19-20-22-12-18(27(20)6-5-21-19)16-11-23-24(2)13-16;2*3-2(4,5)1(6)7/h3-6,11-13H,7-10,14H2,1-2H3;2*(H,6,7).

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

3-(1-methylpyrazol-4-yl)-8-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 621.56 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylpyrazol-4-yl)-8-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155842610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).