2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C23H27F3N4O3 — CID 59053965

About 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 59053965) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 59053965
• Molecular Formula: C23H27F3N4O3
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.20
• IUPAC Name: 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)CN3C)nc1C
• InChI: InChI=1S/C23H27F3N4O3/c1-14-13-28(3)22(19-8-6-17(30(14)19)20(31)23(24,25)26)9-11-29(12-10-22)21(32)16-5-7-18(33-4)15(2)27-16/h5-8,14H,9-13H2,1-4H3
• InChIKey: NCIWZAFYUBRDAD-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 67.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 59053965) is 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)CN3C)nc1C.

What is the InChIKey of 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is NCIWZAFYUBRDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-14-13-28(3)22(19-8-6-17(30(14)19)20(31)23(24,25)26)9-11-29(12-10-22)21(32)16-5-7-18(33-4)15(2)27-16/h5-8,14H,9-13H2,1-4H3.

What are the key properties of 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 464.49 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 59053965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).