7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)

C26H29F9N6O6S — CID 155825709

About 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)

7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (PubChem CID 155825709) has the molecular formula C26H29F9N6O6S and a molecular weight of 724.60 g/mol. Its IUPAC name is 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 155825709
• Molecular Formula: C26H29F9N6O6S
• Molecular Weight: 724.60 g/mol
• Exact Mass: 724.17
• IUPAC Name: 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• SMILES: CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccsc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H26N6S.3C2HF3O2/c1-23-8-9-26-18(17-11-22-24(2)14-17)12-21-19(26)20(23)4-6-25(7-5-20)13-16-3-10-27-15-16;3*3-2(4,5)1(6)7/h3,10-12,14-15H,4-9,13H2,1-2H3;3*(H,6,7)
• InChIKey: KHPDFWMZCCALCV-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 154.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	724.60
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (CID 155825709) is 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccsc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The InChIKey is KHPDFWMZCCALCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6S.3C2HF3O2/c1-23-8-9-26-18(17-11-22-24(2)14-17)12-21-19(26)20(23)4-6-25(7-5-20)13-16-3-10-27-15-16;3*3-2(4,5)1(6)7/h3,10-12,14-15H,4-9,13H2,1-2H3;3*(H,6,7).

What are the key properties of 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) has a molecular weight of 724.60 g/mol, XLogP of 4.68, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155825709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).