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

C24H25F6N7O4S — CID 155832233

About 3-(1-methylpyrazol-4-yl)-8-[4-[(3-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-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155832233) 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-[(3-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-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155832233
• Molecular Formula: C24H25F6N7O4S
• Molecular Weight: 621.56 g/mol
• Exact Mass: 621.16
• IUPAC Name: 3-(1-methylpyrazol-4-yl)-8-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1ccsc1CN1CCN(c2nccn3c(-c4cnn(C)c4)cnc23)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H23N7S.2C2HF3O2/c1-15-3-10-28-18(15)14-25-6-8-26(9-7-25)19-20-22-12-17(27(20)5-4-21-19)16-11-23-24(2)13-16;2*3-2(4,5)1(6)7/h3-5,10-13H,6-9,14H2,1-2H3;2*(H,6,7)
• InChIKey: AMEPIYZLJVHZFP-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-[(3-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-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155832233) is 3-(1-methylpyrazol-4-yl)-8-[4-[(3-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-[(3-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-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is Cc1ccsc1CN1CCN(c2nccn3c(-c4cnn(C)c4)cnc23)CC1.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-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

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

What are the key properties of 3-(1-methylpyrazol-4-yl)-8-[4-[(3-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-[(3-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-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155832233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).