7-ethyl-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)

C28H37F9N6O7 — CID 155852902

About 7-ethyl-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-ethyl-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 155852902) has the molecular formula C28H37F9N6O7 and a molecular weight of 740.62 g/mol. Its IUPAC name is 7-ethyl-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-ethyl-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: 155852902
• Molecular Formula: C28H37F9N6O7
• Molecular Weight: 740.62 g/mol
• Exact Mass: 740.26
• IUPAC Name: 7-ethyl-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: CCN1CCn2c(-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/C22H34N6O.3C2HF3O2/c1-3-27-10-11-28-20(19-14-24-25(2)17-19)15-23-21(28)22(27)6-8-26(9-7-22)16-18-4-12-29-13-5-18;3*3-2(4,5)1(6)7/h14-15,17-18H,3-13,16H2,1-2H3;3*(H,6,7)
• InChIKey: ZJOPRFLYCHZOPI-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 163.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	740.62
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-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-ethyl-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 155852902) is 7-ethyl-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-ethyl-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-ethyl-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 CCN1CCn2c(-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-ethyl-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 ZJOPRFLYCHZOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O.3C2HF3O2/c1-3-27-10-11-28-20(19-14-24-25(2)17-19)15-23-21(28)22(27)6-8-26(9-7-22)16-18-4-12-29-13-5-18;3*3-2(4,5)1(6)7/h14-15,17-18H,3-13,16H2,1-2H3;3*(H,6,7).

What are the key properties of 7-ethyl-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-ethyl-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 740.62 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-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 155852902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).