[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C22H22F2N6O2 — CID 118940654

About [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 118940654) has the molecular formula C22H22F2N6O2 and a molecular weight of 440.45 g/mol. Its IUPAC name is [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• PubChem CID: 118940654
• Molecular Formula: C22H22F2N6O2
• Molecular Weight: 440.45 g/mol
• Exact Mass: 440.18
• IUPAC Name: [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• SMILES: Cc1ccc(-n2nccn2)c(C(=O)N2C(C)C3CC(Oc4ccc(C(F)F)cn4)C2C3)n1
• InChI: InChI=1S/C22H22F2N6O2/c1-12-3-5-16(30-26-7-8-27-30)20(28-12)22(31)29-13(2)15-9-17(29)18(10-15)32-19-6-4-14(11-25-19)21(23)24/h3-8,11,13,15,17-18,21H,9-10H2,1-2H3
• InChIKey: XFYFUGYQBIALCR-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.45
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The IUPAC name of [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 118940654) is [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

What is the SMILES notation for [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The canonical SMILES for [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2C(C)C3CC(Oc4ccc(C(F)F)cn4)C2C3)n1.

What is the InChIKey of [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The InChIKey is XFYFUGYQBIALCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O2/c1-12-3-5-16(30-26-7-8-27-30)20(28-12)22(31)29-13(2)15-9-17(29)18(10-15)32-19-6-4-14(11-25-19)21(23)24/h3-8,11,13,15,17-18,21H,9-10H2,1-2H3.

What are the key properties of [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 440.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 118940654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).