[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone

C25H33F3N8O — CID 169105607

About [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone

[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 169105607) has the molecular formula C25H33F3N8O and a molecular weight of 518.59 g/mol. Its IUPAC name is [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 169105607
• Molecular Formula: C25H33F3N8O
• Molecular Weight: 518.59 g/mol
• Exact Mass: 518.27
• IUPAC Name: [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cn1nc(C(F)(F)F)cc1CN1CCC2(CC1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2
• InChI: InChI=1S/C25H33F3N8O/c1-33-18(8-19(32-33)25(26,27)28)11-34-6-4-23(5-7-34)12-35(13-23)22(37)36-14-24(15-36)9-17(10-24)21-29-20(30-31-21)16-2-3-16/h8,16-17H,2-7,9-15H2,1H3,(H,29,30,31)
• InChIKey: BKIGNOAOYKVBTP-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 86.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.59
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (CID 169105607) is [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is Cn1nc(C(F)(F)F)cc1CN1CCC2(CC1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2.

What is the InChIKey of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is BKIGNOAOYKVBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N8O/c1-33-18(8-19(32-33)25(26,27)28)11-34-6-4-23(5-7-34)12-35(13-23)22(37)36-14-24(15-36)9-17(10-24)21-29-20(30-31-21)16-2-3-16/h8,16-17H,2-7,9-15H2,1H3,(H,29,30,31).

What are the key properties of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?

[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 518.59 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 169105607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).