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

C28H30F4N4O4 — CID 155856979

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

[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155856979) has the molecular formula C28H30F4N4O4 and a molecular weight of 562.56 g/mol. Its IUPAC name is [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(4-methoxyphenyl)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]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155856979
• Molecular Formula: C28H30F4N4O4
• Molecular Weight: 562.56 g/mol
• Exact Mass: 562.22
• IUPAC Name: [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid
• SMILES: CCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1ccc(OC)cc1)CC2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H29FN4O2.C2HF3O2/c1-3-30-15-16-31-23(20-5-4-6-21(27)17-20)18-28-25(31)26(30)11-13-29(14-12-26)24(32)19-7-9-22(33-2)10-8-19;3-2(4,5)1(6)7/h4-10,17-18H,3,11-16H2,1-2H3;(H,6,7)
• InChIKey: OPPPBAPIGDRJEV-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 87.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.56
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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]-(4-methoxyphenyl)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]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid (CID 155856979) is [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(4-methoxyphenyl)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]-(4-methoxyphenyl)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]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid is CCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1ccc(OC)cc1)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]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid?

The InChIKey is OPPPBAPIGDRJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2.C2HF3O2/c1-3-30-15-16-31-23(20-5-4-6-21(27)17-20)18-28-25(31)26(30)11-13-29(14-12-26)24(32)19-7-9-22(33-2)10-8-19;3-2(4,5)1(6)7/h4-10,17-18H,3,11-16H2,1-2H3;(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]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid?

[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 562.56 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155856979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).