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

C29H33F9N6O7 — CID 155825571

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

1'-[(4-methoxyphenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (PubChem CID 155825571) has the molecular formula C29H33F9N6O7 and a molecular weight of 748.60 g/mol. Its IUPAC name is 1'-[(4-methoxyphenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1'-[(4-methoxyphenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 155825571
• Molecular Formula: C29H33F9N6O7
• Molecular Weight: 748.60 g/mol
• Exact Mass: 748.23
• IUPAC Name: 1'-[(4-methoxyphenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• SMILES: COc1ccc(CN2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H30N6O.3C2HF3O2/c1-26-12-13-29-21(19-14-25-27(2)17-19)15-24-22(29)23(26)8-10-28(11-9-23)16-18-4-6-20(30-3)7-5-18;3*3-2(4,5)1(6)7/h4-7,14-15,17H,8-13,16H2,1-3H3;3*(H,6,7)
• InChIKey: LIUYIEJZMKYCHX-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 163.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	748.60
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1'-[(4-methoxyphenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (CID 155825571) is 1'-[(4-methoxyphenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 1'-[(4-methoxyphenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is COc1ccc(CN2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)cc1.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 1'-[(4-methoxyphenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The InChIKey is LIUYIEJZMKYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O.3C2HF3O2/c1-26-12-13-29-21(19-14-25-27(2)17-19)15-24-22(29)23(26)8-10-28(11-9-23)16-18-4-6-20(30-3)7-5-18;3*3-2(4,5)1(6)7/h4-7,14-15,17H,8-13,16H2,1-3H3;3*(H,6,7).

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

1'-[(4-methoxyphenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) has a molecular weight of 748.60 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(4-methoxyphenyl)methyl]-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155825571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).