1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)

C27H30F6N4O6 — CID 171695678

About 1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)

1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (PubChem CID 171695678) has the molecular formula C27H30F6N4O6 and a molecular weight of 620.55 g/mol. Its IUPAC name is 1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 171695678
• Molecular Formula: C27H30F6N4O6
• Molecular Weight: 620.55 g/mol
• Exact Mass: 620.21
• IUPAC Name: 1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
• SMILES: COc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccoc3)CC2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H28N4O2.2C2HF3O2/c1-25-12-13-27-21(19-3-5-20(28-2)6-4-19)15-24-22(27)23(25)8-10-26(11-9-23)16-18-7-14-29-17-18;2*3-2(4,5)1(6)7/h3-7,14-15,17H,8-13,16H2,1-2H3;2*(H,6,7)
• InChIKey: CGQQUFQBFXJJGQ-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 121.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.55
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (CID 171695678) is 1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is COc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccoc3)CC2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is CGQQUFQBFXJJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.2C2HF3O2/c1-25-12-13-27-21(19-3-5-20(28-2)6-4-19)15-24-22(27)23(25)8-10-26(11-9-23)16-18-7-14-29-17-18;2*3-2(4,5)1(6)7/h3-7,14-15,17H,8-13,16H2,1-2H3;2*(H,6,7).

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

1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) has a molecular weight of 620.55 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(furan-3-ylmethyl)-3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171695678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).