[6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

C20H22F6N8O — CID 171533430

About [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

[6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 171533430) has the molecular formula C20H22F6N8O and a molecular weight of 504.44 g/mol. Its IUPAC name is [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
• PubChem CID: 171533430
• Molecular Formula: C20H22F6N8O
• Molecular Weight: 504.44 g/mol
• Exact Mass: 504.18
• IUPAC Name: [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
• SMILES: O=C(N1CC2(CC(n3cnc(C(F)(F)F)n3)C2)C1)N1CC2(CN(Cc3nccn3C(F)(F)F)C2)C1
• InChI: InChI=1S/C20H22F6N8O/c21-19(22,23)15-28-12-34(29-15)13-3-17(4-13)8-31(9-17)16(35)32-10-18(11-32)6-30(7-18)5-14-27-1-2-33(14)20(24,25)26/h1-2,12-13H,3-11H2
• InChIKey: LYWHFMMDZPLQJA-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 75.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.44
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The IUPAC name of [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 171533430) is [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

What is the SMILES notation for [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The canonical SMILES for [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC2(CC(n3cnc(C(F)(F)F)n3)C2)C1)N1CC2(CN(Cc3nccn3C(F)(F)F)C2)C1.

What is the InChIKey of [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The InChIKey is LYWHFMMDZPLQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F6N8O/c21-19(22,23)15-28-12-34(29-15)13-3-17(4-13)8-31(9-17)16(35)32-10-18(11-32)6-30(7-18)5-14-27-1-2-33(14)20(24,25)26/h1-2,12-13H,3-11H2.

What are the key properties of [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

[6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 504.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[1-(trifluoromethyl)imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 171533430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).