[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid

C25H27F4N5O4 — CID 155869139

About [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid

[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155869139) has the molecular formula C25H27F4N5O4 and a molecular weight of 537.51 g/mol. Its IUPAC name is [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155869139
• Molecular Formula: C25H27F4N5O4
• Molecular Weight: 537.51 g/mol
• Exact Mass: 537.20
• IUPAC Name: [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
• SMILES: CCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cc(C)on1)CC2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H26FN5O2.C2HF3O2/c1-3-28-11-12-29-20(17-5-4-6-18(24)14-17)15-25-22(29)23(28)7-9-27(10-8-23)21(30)19-13-16(2)31-26-19;3-2(4,5)1(6)7/h4-6,13-15H,3,7-12H2,1-2H3;(H,6,7)
• InChIKey: HEVORONFTGHIBG-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 104.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.51
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid (CID 155869139) is [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid is CCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cc(C)on1)CC2.O=C(O)C(F)(F)F.

What is the InChIKey of [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid?

The InChIKey is HEVORONFTGHIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2.C2HF3O2/c1-3-28-11-12-29-20(17-5-4-6-18(24)14-17)15-25-22(29)23(28)7-9-27(10-8-23)21(30)19-13-16(2)31-26-19;3-2(4,5)1(6)7/h4-6,13-15H,3,7-12H2,1-2H3;(H,6,7).

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

[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 537.51 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155869139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).