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

C26H32F3N7O — CID 166084177

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

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 166084177) has the molecular formula C26H32F3N7O and a molecular weight of 515.58 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 166084177
• Molecular Formula: C26H32F3N7O
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.26
• IUPAC Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
• SMILES: O=C(N1CC2(CCN(Cc3ccc(C(F)(F)F)nc3)CC2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
• InChI: InChI=1S/C26H32F3N7O/c27-26(28,29)21-4-1-18(11-30-21)12-33-7-5-24(6-8-33)13-34(14-24)23(37)35-15-25(16-35)9-20(10-25)36-17-31-22(32-36)19-2-3-19/h1,4,11,17,19-20H,2-3,5-10,12-16H2
• InChIKey: LWPIDHVHHCJVON-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 70.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.58
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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]-[7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (CID 166084177) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

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

The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is O=C(N1CC2(CCN(Cc3ccc(C(F)(F)F)nc3)CC2)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]-[7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is LWPIDHVHHCJVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N7O/c27-26(28,29)21-4-1-18(11-30-21)12-33-7-5-24(6-8-33)13-34(14-24)23(37)35-15-25(16-35)9-20(10-25)36-17-31-22(32-36)19-2-3-19/h1,4,11,17,19-20H,2-3,5-10,12-16H2.

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

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 515.58 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]-[7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 166084177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).