3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)

C₂₄H₂₈F₇N₅O₅ — CID 155825613

About 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)

3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155825613) has the molecular formula C₂₄H₂₈F₇N₅O₅ and a molecular weight of 599.50 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155825613
• Molecular Formula: C₂₄H₂₈F₇N₅O₅
• Molecular Weight: 599.50 g/mol
• Exact Mass: 599.20
• IUPAC Name: 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CN(C)C(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CCN2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H26FN5O.2C2HF3O2/c1-23(2)19(27)25-9-7-20(8-10-25)18-22-14-17(26(18)12-11-24(20)3)15-5-4-6-16(21)13-15;2*3-2(4,5)1(6)7/h4-6,13-14H,7-12H2,1-3H3;2*(H,6,7)
• InChIKey: QPYBFZLPPYRLEC-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 119.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.50
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155825613) is 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid) is CN(C)C(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CCN2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is QPYBFZLPPYRLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O.2C2HF3O2/c1-23(2)19(27)25-9-7-20(8-10-25)18-22-14-17(26(18)12-11-24(20)3)15-5-4-6-16(21)13-15;2*3-2(4,5)1(6)7/h4-6,13-14H,7-12H2,1-3H3;2*(H,6,7).

What are the key properties of 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)?

3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 599.50 g/mol, XLogP of 3.87, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155825613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155825613 — identifiers, structure, computed properties (public domain)

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