[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

C22H23F5N6O — CID 169104262

About [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 169104262) has the molecular formula C22H23F5N6O and a molecular weight of 482.46 g/mol. Its IUPAC name is [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
• PubChem CID: 169104262
• Molecular Formula: C22H23F5N6O
• Molecular Weight: 482.46 g/mol
• Exact Mass: 482.19
• IUPAC Name: [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
• SMILES: O=C(N1CC2(CC(Cc3ncc(F)cc3F)C2)C1)N1CC2(CC(c3nc(C(F)(F)F)n[nH]3)C2)C1
• InChI: InChI=1S/C22H23F5N6O/c23-14-2-15(24)16(28-7-14)1-12-3-20(4-12)8-32(9-20)19(34)33-10-21(11-33)5-13(6-21)17-29-18(31-30-17)22(25,26)27/h2,7,12-13H,1,3-6,8-11H2,(H,29,30,31)
• InChIKey: FEWHSGLLAWVHNY-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.46
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The IUPAC name of [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 169104262) is [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

What is the SMILES notation for [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The canonical SMILES for [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC2(CC(Cc3ncc(F)cc3F)C2)C1)N1CC2(CC(c3nc(C(F)(F)F)n[nH]3)C2)C1.

What is the InChIKey of [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The InChIKey is FEWHSGLLAWVHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F5N6O/c23-14-2-15(24)16(28-7-14)1-12-3-20(4-12)8-32(9-20)19(34)33-10-21(11-33)5-13(6-21)17-29-18(31-30-17)22(25,26)27/h2,7,12-13H,1,3-6,8-11H2,(H,29,30,31).

What are the key properties of [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 482.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 169104262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).