[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

C24H31F2N7O — CID 171533115

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 171533115) has the molecular formula C24H31F2N7O and a molecular weight of 471.56 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
• PubChem CID: 171533115
• Molecular Formula: C24H31F2N7O
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.26
• IUPAC Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
• SMILES: Cc1cc(C(F)F)nn1CC1CC2(C1)CN(C(=O)N1CC3(CC(n4cnc(C5CC5)n4)C3)C1)C2
• InChI: InChI=1S/C24H31F2N7O/c1-15-4-19(20(25)26)28-32(15)9-16-5-23(6-16)10-30(11-23)22(34)31-12-24(13-31)7-18(8-24)33-14-27-21(29-33)17-2-3-17/h4,14,16-18,20H,2-3,5-13H2,1H3
• InChIKey: HCWBCKSYPGZETC-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 72.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	3.77
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]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 171533115) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-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]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is Cc1cc(C(F)F)nn1CC1CC2(C1)CN(C(=O)N1CC3(CC(n4cnc(C5CC5)n4)C3)C1)C2.

What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The InChIKey is HCWBCKSYPGZETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N7O/c1-15-4-19(20(25)26)28-32(15)9-16-5-23(6-16)10-30(11-23)22(34)31-12-24(13-31)7-18(8-24)33-14-27-21(29-33)17-2-3-17/h4,14,16-18,20H,2-3,5-13H2,1H3.

What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 471.56 g/mol, XLogP of 3.77, 5 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]-[6-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 171533115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).