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

C23H25F6N9O4 — CID 155844117

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

3-(1-methylpyrazol-4-yl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155844117) has the molecular formula C23H25F6N9O4 and a molecular weight of 605.50 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155844117
• Molecular Formula: C23H25F6N9O4
• Molecular Weight: 605.50 g/mol
• Exact Mass: 605.19
• IUPAC Name: 3-(1-methylpyrazol-4-yl)-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(-c5cnn(C)c5)cnc34)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H23N9.2C2HF3O2/c1-24-12-15(9-22-24)13-26-5-7-27(8-6-26)18-19-21-11-17(28(19)4-3-20-18)16-10-23-25(2)14-16;2*3-2(4,5)1(6)7/h3-4,9-12,14H,5-8,13H2,1-2H3;2*(H,6,7)
• InChIKey: IYUUSCRATJFRAU-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 146.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.50
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155844117) is 3-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-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(-c5cnn(C)c5)cnc34)CC2)cn1.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-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is IYUUSCRATJFRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9.2C2HF3O2/c1-24-12-15(9-22-24)13-26-5-7-27(8-6-26)18-19-21-11-17(28(19)4-3-20-18)16-10-23-25(2)14-16;2*3-2(4,5)1(6)7/h3-4,9-12,14H,5-8,13H2,1-2H3;2*(H,6,7).

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

3-(1-methylpyrazol-4-yl)-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 605.50 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylpyrazol-4-yl)-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 155844117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).