[3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C26H25FN2O2 — CID 118940596

About [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 118940596) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• PubChem CID: 118940596
• Molecular Formula: C26H25FN2O2
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.19
• IUPAC Name: [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• SMILES: Cc1ccc(OC2CC3CC2N(C(=O)c2cccc(-c4ccc(F)cc4)c2)C3C)nc1
• InChI: InChI=1S/C26H25FN2O2/c1-16-6-11-25(28-15-16)31-24-14-21-13-23(24)29(17(21)2)26(30)20-5-3-4-19(12-20)18-7-9-22(27)10-8-18/h3-12,15,17,21,23-24H,13-14H2,1-2H3
• InChIKey: JEHMCZPFLVMECO-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 42.43 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The IUPAC name of [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 118940596) is [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

What is the SMILES notation for [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The canonical SMILES for [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2cccc(-c4ccc(F)cc4)c2)C3C)nc1.

What is the InChIKey of [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The InChIKey is JEHMCZPFLVMECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O2/c1-16-6-11-25(28-15-16)31-24-14-21-13-23(24)29(17(21)2)26(30)20-5-3-4-19(12-20)18-7-9-22(27)10-8-18/h3-12,15,17,21,23-24H,13-14H2,1-2H3.

What are the key properties of [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

[3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 416.50 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 118940596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).