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

C23H28F6N6O — CID 174242603

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

[3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 174242603) has the molecular formula C23H28F6N6O and a molecular weight of 518.51 g/mol. Its IUPAC name is [3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: [3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
• PubChem CID: 174242603
• Molecular Formula: C23H28F6N6O
• Molecular Weight: 518.51 g/mol
• Exact Mass: 518.22
• IUPAC Name: [3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
• SMILES: CN(C12CC(C3CN(C(=O)N4CC5(CC(n6cnc(C(F)(F)F)n6)C5)C4)C3)(C1)C2)C1(C(F)(F)F)CC1
• InChI: InChI=1S/C23H28F6N6O/c1-32(21(2-3-21)23(27,28)29)20-8-19(9-20,10-20)14-6-33(7-14)17(36)34-11-18(12-34)4-15(5-18)35-13-30-16(31-35)22(24,25)26/h13-15H,2-12H2,1H3
• InChIKey: GMBOAZYJVZDEAB-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 57.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.51
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 174242603) is [3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

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

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

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

The InChIKey is GMBOAZYJVZDEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F6N6O/c1-32(21(2-3-21)23(27,28)29)20-8-19(9-20,10-20)14-6-33(7-14)17(36)34-11-18(12-34)4-15(5-18)35-13-30-16(31-35)22(24,25)26/h13-15H,2-12H2,1H3.

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

[3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 518.51 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[methyl-[1-(trifluoromethyl)cyclopropyl]amino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 174242603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).