[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone

C25H28F3N5O3 — CID 166084264

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone (PubChem CID 166084264) has the molecular formula C25H28F3N5O3 and a molecular weight of 503.53 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone
• PubChem CID: 166084264
• Molecular Formula: C25H28F3N5O3
• Molecular Weight: 503.53 g/mol
• Exact Mass: 503.21
• IUPAC Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone
• SMILES: O=C(c1cnc(OCC2(C(F)(F)F)CC2)c(C2COC2)c1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
• InChI: InChI=1S/C25H28F3N5O3/c26-25(27,28)24(3-4-24)13-36-21-19(17-9-35-10-17)5-16(8-29-21)22(34)32-11-23(12-32)6-18(7-23)33-14-30-20(31-33)15-1-2-15/h5,8,14-15,17-18H,1-4,6-7,9-13H2
• InChIKey: UVTLSXSLEZPMRR-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 82.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.53
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone?

The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone (CID 166084264) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone.

What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone?

The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone is O=C(c1cnc(OCC2(C(F)(F)F)CC2)c(C2COC2)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]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone?

The InChIKey is UVTLSXSLEZPMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O3/c26-25(27,28)24(3-4-24)13-36-21-19(17-9-35-10-17)5-16(8-29-21)22(34)32-11-23(12-32)6-18(7-23)33-14-30-20(31-33)15-1-2-15/h5,8,14-15,17-18H,1-4,6-7,9-13H2.

What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone?

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone has a molecular weight of 503.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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]-[5-(oxetan-3-yl)-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone is sourced from PubChem (CID 166084264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).