7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)

C26H28F6N4O6S2 — CID 155837981

About 7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)

7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (PubChem CID 155837981) has the molecular formula C26H28F6N4O6S2 and a molecular weight of 670.65 g/mol. Its IUPAC name is 7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155837981
• Molecular Formula: C26H28F6N4O6S2
• Molecular Weight: 670.65 g/mol
• Exact Mass: 670.14
• IUPAC Name: 7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
• SMILES: CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1cccs1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H26N4O2S2.2C2HF3O2/c1-30(27,28)26-14-13-25-20(18-6-3-2-4-7-18)16-23-21(25)22(26)9-11-24(12-10-22)17-19-8-5-15-29-19;2*3-2(4,5)1(6)7/h2-8,15-16H,9-14,17H2,1H3;2*(H,6,7)
• InChIKey: MVTCJVILQREBLD-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 133.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	670.65
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (CID 155837981) is 7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1cccs1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is MVTCJVILQREBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S2.2C2HF3O2/c1-30(27,28)26-14-13-25-20(18-6-3-2-4-7-18)16-23-21(25)22(26)9-11-24(12-10-22)17-19-8-5-15-29-19;2*3-2(4,5)1(6)7/h2-8,15-16H,9-14,17H2,1H3;2*(H,6,7).

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

7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) has a molecular weight of 670.65 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155837981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).