1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one

C25H30F2N6O3 — CID 169105114

About 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one

1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one (PubChem CID 169105114) has the molecular formula C25H30F2N6O3 and a molecular weight of 500.55 g/mol. Its IUPAC name is 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one.

Molecular Properties

• Compound Name: 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one
• PubChem CID: 169105114
• Molecular Formula: C25H30F2N6O3
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.23
• IUPAC Name: 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one
• SMILES: O=C(N1CC2(CC(Cn3cc(OC(F)F)ccc3=O)C2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1
• InChI: InChI=1S/C25H30F2N6O3/c26-22(27)36-18-3-4-19(34)31(10-18)9-15-5-24(6-15)11-32(12-24)23(35)33-13-25(14-33)7-17(8-25)21-28-20(29-30-21)16-1-2-16/h3-4,10,15-17,22H,1-2,5-9,11-14H2,(H,28,29,30)
• InChIKey: XKKLOPXDCFHDOO-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 96.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one?

The IUPAC name of 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one (CID 169105114) is 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one.

What is the SMILES notation for 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one?

The canonical SMILES for 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one is O=C(N1CC2(CC(Cn3cc(OC(F)F)ccc3=O)C2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1.

What is the InChIKey of 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one?

The InChIKey is XKKLOPXDCFHDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N6O3/c26-22(27)36-18-3-4-19(34)31(10-18)9-15-5-24(6-15)11-32(12-24)23(35)33-13-25(14-33)7-17(8-25)21-28-20(29-30-21)16-1-2-16/h3-4,10,15-17,22H,1-2,5-9,11-14H2,(H,28,29,30).

What are the key properties of 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one?

1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one has a molecular weight of 500.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one is sourced from PubChem (CID 169105114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).