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

C24H30F3N7OS — CID 171533339

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]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-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 171533339) has the molecular formula C24H30F3N7OS and a molecular weight of 521.61 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]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-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 171533339
• Molecular Formula: C24H30F3N7OS
• Molecular Weight: 521.61 g/mol
• Exact Mass: 521.22
• IUPAC Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
• SMILES: O=C(N1CC2(CCN(Cc3cc(C(F)(F)F)sn3)CC2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
• InChI: InChI=1S/C24H30F3N7OS/c25-24(26,27)19-7-17(30-36-19)10-31-5-3-22(4-6-31)11-32(12-22)21(35)33-13-23(14-33)8-18(9-23)34-15-28-20(29-34)16-1-2-16/h7,15-16,18H,1-6,8-14H2
• InChIKey: NXGYGCORRWPFIT-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 70.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.61
LogP ≤ 5	3.99
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]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]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-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (CID 171533339) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]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-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]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-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is O=C(N1CC2(CCN(Cc3cc(C(F)(F)F)sn3)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-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is NXGYGCORRWPFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N7OS/c25-24(26,27)19-7-17(30-36-19)10-31-5-3-22(4-6-31)11-32(12-22)21(35)33-13-23(14-33)8-18(9-23)34-15-28-20(29-34)16-1-2-16/h7,15-16,18H,1-6,8-14H2.

What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]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-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 521.61 g/mol, XLogP of 3.99, 4 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]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 171533339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).