1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid

C20H27F3N6O5S — CID 155838060

About 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid

1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 155838060) has the molecular formula C20H27F3N6O5S and a molecular weight of 520.53 g/mol. Its IUPAC name is 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155838060
• Molecular Formula: C20H27F3N6O5S
• Molecular Weight: 520.53 g/mol
• Exact Mass: 520.17
• IUPAC Name: 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid
• SMILES: CCS(=O)(=O)N1CCC2(CC1)c1ncc(-c3cnn(C)c3)n1CCN2C(C)=O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H26N6O3S.C2HF3O2/c1-4-28(26,27)22-7-5-18(6-8-22)17-19-12-16(15-11-20-21(3)13-15)23(17)9-10-24(18)14(2)25;3-2(4,5)1(6)7/h11-13H,4-10H2,1-3H3;(H,6,7)
• InChIKey: JDLHAFYWDLIVKB-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 130.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.53
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid (CID 155838060) is 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid is CCS(=O)(=O)N1CCC2(CC1)c1ncc(-c3cnn(C)c3)n1CCN2C(C)=O.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid?

The InChIKey is JDLHAFYWDLIVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S.C2HF3O2/c1-4-28(26,27)22-7-5-18(6-8-22)17-19-12-16(15-11-20-21(3)13-15)23(17)9-10-24(18)14(2)25;3-2(4,5)1(6)7/h11-13H,4-10H2,1-3H3;(H,6,7).

What are the key properties of 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid?

1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 520.53 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155838060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).