5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)

C26H27F9N6O7 — CID 155856589

About 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)

5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155856589) has the molecular formula C26H27F9N6O7 and a molecular weight of 706.52 g/mol. Its IUPAC name is 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 155856589
• Molecular Formula: C26H27F9N6O7
• Molecular Weight: 706.52 g/mol
• Exact Mass: 706.18
• IUPAC Name: 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)
• SMILES: Cc1cc(CN2CCC3(CC2)NCCn2c(-c4cccnc4)cnc23)no1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H24N6O.3C2HF3O2/c1-15-11-17(24-27-15)14-25-8-4-20(5-9-25)19-22-13-18(26(19)10-7-23-20)16-3-2-6-21-12-16;3*3-2(4,5)1(6)7/h2-3,6,11-13,23H,4-5,7-10,14H2,1H3;3*(H,6,7)
• InChIKey: QXGXCCTUXMRVFX-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 183.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	706.52
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid) (CID 155856589) is 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid) is Cc1cc(CN2CCC3(CC2)NCCn2c(-c4cccnc4)cnc23)no1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is QXGXCCTUXMRVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O.3C2HF3O2/c1-15-11-17(24-27-15)14-25-8-4-20(5-9-25)19-22-13-18(26(19)10-7-23-20)16-3-2-6-21-12-16;3*3-2(4,5)1(6)7/h2-3,6,11-13,23H,4-5,7-10,14H2,1H3;3*(H,6,7).

What are the key properties of 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)?

5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 706.52 g/mol, XLogP of 4.24, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155856589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).