(4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid)

C26H27F6N5O6 — CID 155869562

About (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid)

(4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155869562) has the molecular formula C26H27F6N5O6 and a molecular weight of 619.52 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155869562
• Molecular Formula: C26H27F6N5O6
• Molecular Weight: 619.52 g/mol
• Exact Mass: 619.19
• IUPAC Name: (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: COc1ccc(C(=O)N2CCC3(CC2)CCn2c(-c4cnn(C)c4)cnc23)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H25N5O2.2C2HF3O2/c1-25-15-17(13-24-25)19-14-23-21-22(9-12-27(19)21)7-10-26(11-8-22)20(28)16-3-5-18(29-2)6-4-16;2*3-2(4,5)1(6)7/h3-6,13-15H,7-12H2,1-2H3;2*(H,6,7)
• InChIKey: JEQGEPWGAGBMOS-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 139.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.52
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid) (CID 155869562) is (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid) is COc1ccc(C(=O)N2CCC3(CC2)CCn2c(-c4cnn(C)c4)cnc23)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is JEQGEPWGAGBMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.2C2HF3O2/c1-25-15-17(13-24-25)19-14-23-21-22(9-12-27(19)21)7-10-26(11-8-22)20(28)16-3-5-18(29-2)6-4-16;2*3-2(4,5)1(6)7/h3-6,13-15H,7-12H2,1-2H3;2*(H,6,7).

What are the key properties of (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid)?

(4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 619.52 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155869562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).