[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C88H80F7N19O8 — CID 158665179

About [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 158665179) has the molecular formula C88H80F7N19O8 and a molecular weight of 1664.72 g/mol. Its IUPAC name is [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• PubChem CID: 158665179
• Molecular Formula: C88H80F7N19O8
• Molecular Weight: 1664.72 g/mol
• Exact Mass: 1663.63
• IUPAC Name: [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• SMILES: Cc1cnc(OC2CC3CC2N(C(=O)c2ccccc2-c2ncccn2)C3)c(F)c1.Cc1cnc(OC2CC3CC2N(C(=O)c2ccccc2-n2nccn2)C3)c(F)c1.Cc1cnc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)c(F)c1.O=C(c1cccc(F)c1-c1ncccn1)N1CC2CC(Oc3ncccc3C(F)(F)F)C1C2
• InChI: InChI=1S/C23H18F4N4O2.C23H21FN4O2.C21H21FN6O2.C21H20FN5O2/c24-16-6-1-4-14(19(16)20-28-8-3-9-29-20)22(32)31-12-13-10-17(31)18(11-13)33-21-15(23(25,26)27)5-2-7-30-21;1-14-9-18(24)22(27-12-14)30-20-11-15-10-19(20)28(13-15)23(29)17-6-3-2-5-16(17)21-25-7-4-8-26-21;1-12-7-15(22)20(23-10-12)30-18-9-14-8-17(18)27(11-14)21(29)19-16(4-3-13(2)26-19)28-24-5-6-25-28;1-13-8-16(22)20(23-11-13)29-19-10-14-9-18(19)26(12-14)21(28)15-4-2-3-5-17(15)27-24-6-7-25-27/h1-9,13,17-18H,10-12H2;2-9,12,15,19-20H,10-11,13H2,1H3;3-7,10,14,17-18H,8-9,11H2,1-2H3;2-8,11,14,18-19H,9-10,12H2,1H3
• InChIKey: IDGKMXFAVVODOA-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 295.59 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1664.72
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The IUPAC name of [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 158665179) is [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

What is the SMILES notation for [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The canonical SMILES for [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1cnc(OC2CC3CC2N(C(=O)c2ccccc2-c2ncccn2)C3)c(F)c1.Cc1cnc(OC2CC3CC2N(C(=O)c2ccccc2-n2nccn2)C3)c(F)c1.Cc1cnc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)c(F)c1.O=C(c1cccc(F)c1-c1ncccn1)N1CC2CC(Oc3ncccc3C(F)(F)F)C1C2.

What is the InChIKey of [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The InChIKey is IDGKMXFAVVODOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O2.C23H21FN4O2.C21H21FN6O2.C21H20FN5O2/c24-16-6-1-4-14(19(16)20-28-8-3-9-29-20)22(32)31-12-13-10-17(31)18(11-13)33-21-15(23(25,26)27)5-2-7-30-21;1-14-9-18(24)22(27-12-14)30-20-11-15-10-19(20)28(13-15)23(29)17-6-3-2-5-16(17)21-25-7-4-8-26-21;1-12-7-15(22)20(23-10-12)30-18-9-14-8-17(18)27(11-14)21(29)19-16(4-3-13(2)26-19)28-24-5-6-25-28;1-13-8-16(22)20(23-11-13)29-19-10-14-9-18(19)26(12-14)21(28)15-4-2-3-5-17(15)27-24-6-7-25-27/h1-9,13,17-18H,10-12H2;2-9,12,15,19-20H,10-11,13H2,1H3;3-7,10,14,17-18H,8-9,11H2,1-2H3;2-8,11,14,18-19H,9-10,12H2,1H3.

What are the key properties of [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 1664.72 g/mol, XLogP of 13.33, 16 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 158665179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).