[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[3.4]octan-2-yl]methanone

C25H30F3N7O — CID 166084243

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[3.4]octan-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[3.4]octan-2-yl]methanone (PubChem CID 166084243) has the molecular formula C25H30F3N7O and a molecular weight of 501.56 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[3.4]octan-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[3.4]octan-2-yl]methanone
• PubChem CID: 166084243
• Molecular Formula: C25H30F3N7O
• Molecular Weight: 501.56 g/mol
• Exact Mass: 501.25
• 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[3.4]octan-2-yl]methanone
• SMILES: O=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(CCN(Cc3ccc(C(F)(F)F)nc3)C2)C1
• InChI: InChI=1S/C25H30F3N7O/c26-25(27,28)20-4-1-17(9-29-20)10-32-6-5-23(11-32)12-33(13-23)22(36)34-14-24(15-34)7-19(8-24)35-16-30-21(31-35)18-2-3-18/h1,4,9,16,18-19H,2-3,5-8,10-15H2
• InChIKey: CSYJZKYPXKGLEZ-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 70.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.56
LogP ≤ 5	3.53
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[3.4]octan-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[3.4]octan-2-yl]methanone (CID 166084243) 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[3.4]octan-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[3.4]octan-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[3.4]octan-2-yl]methanone is O=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(CCN(Cc3ccc(C(F)(F)F)nc3)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[3.4]octan-2-yl]methanone?

The InChIKey is CSYJZKYPXKGLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N7O/c26-25(27,28)20-4-1-17(9-29-20)10-32-6-5-23(11-32)12-33(13-23)22(36)34-14-24(15-34)7-19(8-24)35-16-30-21(31-35)18-2-3-18/h1,4,9,16,18-19H,2-3,5-8,10-15H2.

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[3.4]octan-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[3.4]octan-2-yl]methanone has a molecular weight of 501.56 g/mol, XLogP of 3.53, 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[3.4]octan-2-yl]methanone is sourced from PubChem (CID 166084243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).