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

C27H35F9N6O7 — CID 155830465

About 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(oxan-4-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'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (PubChem CID 155830465) has the molecular formula C27H35F9N6O7 and a molecular weight of 726.59 g/mol. Its IUPAC name is 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(oxan-4-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'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 155830465
• Molecular Formula: C27H35F9N6O7
• Molecular Weight: 726.59 g/mol
• Exact Mass: 726.24
• IUPAC Name: 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• SMILES: CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CCOCC1)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/C21H32N6O.3C2HF3O2/c1-24-9-10-27-19(18-13-23-25(2)16-18)14-22-20(27)21(24)5-7-26(8-6-21)15-17-3-11-28-12-4-17;3*3-2(4,5)1(6)7/h13-14,16-17H,3-12,15H2,1-2H3;3*(H,6,7)
• InChIKey: INBDXZBTLKEDJA-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 163.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	726.59
LogP ≤ 5	3.85
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'-(oxan-4-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'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (CID 155830465) is 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(oxan-4-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'-(oxan-4-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'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CCOCC1)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'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The InChIKey is INBDXZBTLKEDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O.3C2HF3O2/c1-24-9-10-27-19(18-13-23-25(2)16-18)14-22-20(27)21(24)5-7-26(8-6-21)15-17-3-11-28-12-4-17;3*3-2(4,5)1(6)7/h13-14,16-17H,3-12,15H2,1-2H3;3*(H,6,7).

What are the key properties of 7-methyl-3-(1-methylpyrazol-4-yl)-1'-(oxan-4-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'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) has a molecular weight of 726.59 g/mol, XLogP of 3.85, 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'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155830465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).