1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)

C20H28F6N4O6 — CID 118745941

About 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)

1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745941) has the molecular formula C20H28F6N4O6 and a molecular weight of 534.45 g/mol. Its IUPAC name is 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118745941
• Molecular Formula: C20H28F6N4O6
• Molecular Weight: 534.45 g/mol
• Exact Mass: 534.19
• IUPAC Name: 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: CCN1CCn2c(C)cnc2C12CCN(C(=O)COC)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H26N4O2.2C2HF3O2/c1-4-19-9-10-20-13(2)11-17-15(20)16(19)5-7-18(8-6-16)14(21)12-22-3;2*3-2(4,5)1(6)7/h11H,4-10,12H2,1-3H3;2*(H,6,7)
• InChIKey: CSZUDWFHEJHPKV-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 125.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.45
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid) (CID 118745941) is 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid) is CCN1CCn2c(C)cnc2C12CCN(C(=O)COC)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is CSZUDWFHEJHPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.2C2HF3O2/c1-4-19-9-10-20-13(2)11-17-15(20)16(19)5-7-18(8-6-16)14(21)12-22-3;2*3-2(4,5)1(6)7/h11H,4-10,12H2,1-3H3;2*(H,6,7).

What are the key properties of 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)?

1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 534.45 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).