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

C21H30F6N4O5 — CID 118745935

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

1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745935) has the molecular formula C21H30F6N4O5 and a molecular weight of 532.48 g/mol. Its IUPAC name is 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one;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-methylpropan-1-one;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118745935
• Molecular Formula: C21H30F6N4O5
• Molecular Weight: 532.48 g/mol
• Exact Mass: 532.21
• IUPAC Name: 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one;bis(2,2,2-trifluoroacetic acid)
• SMILES: CCN1CCn2c(C)cnc2C12CCN(C(=O)C(C)C)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H28N4O.2C2HF3O2/c1-5-20-10-11-21-14(4)12-18-16(21)17(20)6-8-19(9-7-17)15(22)13(2)3;2*3-2(4,5)1(6)7/h12-13H,5-11H2,1-4H3;2*(H,6,7)
• InChIKey: DENHSHRSSHQUPP-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 115.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.48
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-methylpropan-1-one;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-methylpropan-1-one;bis(2,2,2-trifluoroacetic acid) (CID 118745935) is 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one;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-methylpropan-1-one;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-methylpropan-1-one;bis(2,2,2-trifluoroacetic acid) is CCN1CCn2c(C)cnc2C12CCN(C(=O)C(C)C)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-methylpropan-1-one;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is DENHSHRSSHQUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.2C2HF3O2/c1-5-20-10-11-21-14(4)12-18-16(21)17(20)6-8-19(9-7-17)15(22)13(2)3;2*3-2(4,5)1(6)7/h12-13H,5-11H2,1-4H3;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-methylpropan-1-one;bis(2,2,2-trifluoroacetic acid)?

1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 532.48 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 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-methylpropan-1-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).