[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

C87H86F7N23O9 — CID 160795343

About [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (PubChem CID 160795343) has the molecular formula C87H86F7N23O9 and a molecular weight of 1730.78 g/mol. Its IUPAC name is [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
• PubChem CID: 160795343
• Molecular Formula: C87H86F7N23O9
• Molecular Weight: 1730.78 g/mol
• Exact Mass: 1729.69
• IUPAC Name: [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
• SMILES: Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)nc1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)nc1.Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)n1.O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1nccc(C(F)(F)F)n1)C2
• InChI: InChI=1S/C22H20F3N5O3.2C22H24N6O2.C21H18F4N6O2/c1-12-27-19(33-29-12)15-4-2-3-5-16(15)20(31)30-14-6-7-17(30)13(10-14)11-32-21-26-9-8-18(28-21)22(23,24)25;1-14-3-8-20(23-12-14)30-13-16-11-17-5-7-19(16)28(17)22(29)18-6-4-15(2)25-21(18)27-10-9-24-26-27;1-14-3-8-20(23-12-14)30-13-16-11-17-5-7-19(16)27(17)22(29)18-6-4-15(2)26-21(18)28-24-9-10-25-28;22-15-3-1-2-14(18(15)31-27-8-9-28-31)19(32)30-13-4-5-16(30)12(10-13)11-33-20-26-7-6-17(29-20)21(23,24)25/h2-5,8-9,13-14,17H,6-7,10-11H2,1H3;2*3-4,6,8-10,12,16-17,19H,5,7,11,13H2,1-2H3;1-3,6-9,12-13,16H,4-5,10-11H2
• InChIKey: SCJFNAXWQOEIQX-UHFFFAOYSA-N
• XLogP: 12.71
• TPSA: 352.33 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1730.78
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

The IUPAC name of [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (CID 160795343) is [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.

What is the SMILES notation for [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

The canonical SMILES for [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)nc1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)nc1.Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)n1.O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1nccc(C(F)(F)F)n1)C2.

What is the InChIKey of [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

The InChIKey is SCJFNAXWQOEIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3.2C22H24N6O2.C21H18F4N6O2/c1-12-27-19(33-29-12)15-4-2-3-5-16(15)20(31)30-14-6-7-17(30)13(10-14)11-32-21-26-9-8-18(28-21)22(23,24)25;1-14-3-8-20(23-12-14)30-13-16-11-17-5-7-19(16)28(17)22(29)18-6-4-15(2)25-21(18)27-10-9-24-26-27;1-14-3-8-20(23-12-14)30-13-16-11-17-5-7-19(16)27(17)22(29)18-6-4-15(2)26-21(18)28-24-9-10-25-28;22-15-3-1-2-14(18(15)31-27-8-9-28-31)19(32)30-13-4-5-16(30)12(10-13)11-33-20-26-7-6-17(29-20)21(23,24)25/h2-5,8-9,13-14,17H,6-7,10-11H2,1H3;2*3-4,6,8-10,12,16-17,19H,5,7,11,13H2,1-2H3;1-3,6-9,12-13,16H,4-5,10-11H2.

What are the key properties of [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone has a molecular weight of 1730.78 g/mol, XLogP of 12.71, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 160795343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).