[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone

C25H33F3N6O — CID 174242610

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone (PubChem CID 174242610) has the molecular formula C25H33F3N6O and a molecular weight of 490.57 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]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-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone
• PubChem CID: 174242610
• Molecular Formula: C25H33F3N6O
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.27
• IUPAC Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone
• SMILES: CN(C12CC(C3CN(C(=O)N4CC5(CC(n6cnc(C7CC7)n6)C5)C4)C3)(C1)C2)C1(C(F)(F)F)CC1
• InChI: InChI=1S/C25H33F3N6O/c1-31(24(4-5-24)25(26,27)28)23-10-22(11-23,12-23)17-8-32(9-17)20(35)33-13-21(14-33)6-18(7-21)34-15-29-19(30-34)16-2-3-16/h15-18H,2-14H2,1H3
• InChIKey: LARCSYUCCBGROZ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 57.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]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-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone (CID 174242610) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]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-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]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-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone is CN(C12CC(C3CN(C(=O)N4CC5(CC(n6cnc(C7CC7)n6)C5)C4)C3)(C1)C2)C1(C(F)(F)F)CC1.

What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone?

The InChIKey is LARCSYUCCBGROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N6O/c1-31(24(4-5-24)25(26,27)28)23-10-22(11-23,12-23)17-8-32(9-17)20(35)33-13-21(14-33)6-18(7-21)34-15-29-19(30-34)16-2-3-16/h15-18H,2-14H2,1H3.

What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone?

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone has a molecular weight of 490.57 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone is sourced from PubChem (CID 174242610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).