[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

C22H26F3N7O2 — CID 170565600

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 170565600) has the molecular formula C22H26F3N7O2 and a molecular weight of 477.49 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
• PubChem CID: 170565600
• Molecular Formula: C22H26F3N7O2
• Molecular Weight: 477.49 g/mol
• Exact Mass: 477.21
• IUPAC Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
• SMILES: O=C(N1CC(c2nc(CC3(C(F)(F)F)CC3)no2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
• InChI: InChI=1S/C22H26F3N7O2/c23-22(24,25)21(3-4-21)7-16-27-18(34-29-16)14-8-30(9-14)19(33)31-10-20(11-31)5-15(6-20)32-12-26-17(28-32)13-1-2-13/h12-15H,1-11H2
• InChIKey: AGSWUDDWGRBDAP-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 93.18 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.49
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 170565600) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

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

The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is O=C(N1CC(c2nc(CC3(C(F)(F)F)CC3)no2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.

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

The InChIKey is AGSWUDDWGRBDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N7O2/c23-22(24,25)21(3-4-21)7-16-27-18(34-29-16)14-8-30(9-14)19(33)31-10-20(11-31)5-15(6-20)32-12-26-17(28-32)13-1-2-13/h12-15H,1-11H2.

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

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 477.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 170565600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).