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

C24H27F6N7O5S — CID 155825140

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

1-[3-(1-methylpyrazol-4-yl)-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155825140) has the molecular formula C24H27F6N7O5S and a molecular weight of 639.58 g/mol. Its IUPAC name is 1-[3-(1-methylpyrazol-4-yl)-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1-[3-(1-methylpyrazol-4-yl)-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155825140
• Molecular Formula: C24H27F6N7O5S
• Molecular Weight: 639.58 g/mol
• Exact Mass: 639.17
• IUPAC Name: 1-[3-(1-methylpyrazol-4-yl)-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1nccs1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H25N7OS.2C2HF3O2/c1-15(28)27-9-8-26-17(16-11-23-24(2)13-16)12-22-19(26)20(27)3-6-25(7-4-20)14-18-21-5-10-29-18;2*3-2(4,5)1(6)7/h5,10-13H,3-4,6-9,14H2,1-2H3;2*(H,6,7)
• InChIKey: OKXURYLGIOXUEZ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 146.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	639.58
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-[3-(1-methylpyrazol-4-yl)-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) (CID 155825140) is 1-[3-(1-methylpyrazol-4-yl)-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 1-[3-(1-methylpyrazol-4-yl)-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) is CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1nccs1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is OKXURYLGIOXUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7OS.2C2HF3O2/c1-15(28)27-9-8-26-17(16-11-23-24(2)13-16)12-22-19(26)20(27)3-6-25(7-4-20)14-18-21-5-10-29-18;2*3-2(4,5)1(6)7/h5,10-13H,3-4,6-9,14H2,1-2H3;2*(H,6,7).

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

1-[3-(1-methylpyrazol-4-yl)-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 639.58 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1-methylpyrazol-4-yl)-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155825140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).