2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide

C23H29F3N6O2 — CID 169105241

About 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide

2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 169105241) has the molecular formula C23H29F3N6O2 and a molecular weight of 478.52 g/mol. Its IUPAC name is 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

• Compound Name: 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide
• PubChem CID: 169105241
• Molecular Formula: C23H29F3N6O2
• Molecular Weight: 478.52 g/mol
• Exact Mass: 478.23
• IUPAC Name: 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide
• SMILES: O=C(NC1(C(F)(F)F)CC1)C1CC2(C1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2
• InChI: InChI=1S/C23H29F3N6O2/c24-23(25,26)22(3-4-22)28-18(33)15-7-21(8-15)11-32(12-21)19(34)31-9-20(10-31)5-14(6-20)17-27-16(29-30-17)13-1-2-13/h13-15H,1-12H2,(H,28,33)(H,27,29,30)
• InChIKey: VFPKGTWCKBBLRS-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.52
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide?

The IUPAC name of 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide (CID 169105241) is 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide.

What is the SMILES notation for 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide?

The canonical SMILES for 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide is O=C(NC1(C(F)(F)F)CC1)C1CC2(C1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2.

What is the InChIKey of 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide?

The InChIKey is VFPKGTWCKBBLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N6O2/c24-23(25,26)22(3-4-22)28-18(33)15-7-21(8-15)11-32(12-21)19(34)31-9-20(10-31)5-14(6-20)17-27-16(29-30-17)13-1-2-13/h13-15H,1-12H2,(H,28,33)(H,27,29,30).

What are the key properties of 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide?

2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 169105241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).