[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone

C90H88ClF5N20O8 — CID 158668964

About [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone

[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 158668964) has the molecular formula C90H88ClF5N20O8 and a molecular weight of 1708.27 g/mol. Its IUPAC name is [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
• PubChem CID: 158668964
• Molecular Formula: C90H88ClF5N20O8
• Molecular Weight: 1708.27 g/mol
• Exact Mass: 1706.67
• IUPAC Name: [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
• SMILES: Cc1cnc(OC2CC3CCC2N(C(=O)c2c(F)cccc2-c2ncccn2)C3)c(Cl)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2cccc(F)c2-n2nccn2)C3)c(F)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2ccccc2-n2nccn2)C3)c(F)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)c(F)c1
• InChI: InChI=1S/C24H22ClFN4O2.C22H21F2N5O2.C22H23FN6O2.C22H22FN5O2/c1-14-10-17(25)23(29-12-14)32-20-11-15-6-7-19(20)30(13-15)24(31)21-16(4-2-5-18(21)26)22-27-8-3-9-28-22;1-13-9-17(24)21(25-11-13)31-19-10-14-5-6-18(19)28(12-14)22(30)15-3-2-4-16(23)20(15)29-26-7-8-27-29;1-13-9-16(23)21(24-11-13)31-19-10-15-4-6-17(19)28(12-15)22(30)20-18(5-3-14(2)27-20)29-25-7-8-26-29;1-14-10-17(23)21(24-12-14)30-20-11-15-6-7-19(20)27(13-15)22(29)16-4-2-3-5-18(16)28-25-8-9-26-28/h2-5,8-10,12,15,19-20H,6-7,11,13H2,1H3;2-4,7-9,11,14,18-19H,5-6,10,12H2,1H3;3,5,7-9,11,15,17,19H,4,6,10,12H2,1-2H3;2-5,8-10,12,15,19-20H,6-7,11,13H2,1H3
• InChIKey: IDSGFSRIVNLLIO-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 300.52 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1708.27
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone?

The IUPAC name of [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 158668964) is [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone.

What is the SMILES notation for [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone?

The canonical SMILES for [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone is Cc1cnc(OC2CC3CCC2N(C(=O)c2c(F)cccc2-c2ncccn2)C3)c(Cl)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2cccc(F)c2-n2nccn2)C3)c(F)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2ccccc2-n2nccn2)C3)c(F)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)c(F)c1.

What is the InChIKey of [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone?

The InChIKey is IDSGFSRIVNLLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O2.C22H21F2N5O2.C22H23FN6O2.C22H22FN5O2/c1-14-10-17(25)23(29-12-14)32-20-11-15-6-7-19(20)30(13-15)24(31)21-16(4-2-5-18(21)26)22-27-8-3-9-28-22;1-13-9-17(24)21(25-11-13)31-19-10-14-5-6-18(19)28(12-14)22(30)15-3-2-4-16(23)20(15)29-26-7-8-27-29;1-13-9-16(23)21(24-11-13)31-19-10-15-4-6-17(19)28(12-15)22(30)20-18(5-3-14(2)27-20)29-25-7-8-26-29;1-14-10-17(23)21(24-12-14)30-20-11-15-6-7-19(20)27(13-15)22(29)16-4-2-3-5-18(16)28-25-8-9-26-28/h2-5,8-10,12,15,19-20H,6-7,11,13H2,1H3;2-4,7-9,11,14,18-19H,5-6,10,12H2,1H3;3,5,7-9,11,15,17,19H,4,6,10,12H2,1-2H3;2-5,8-10,12,15,19-20H,6-7,11,13H2,1H3.

What are the key properties of [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone?

[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 1708.27 g/mol, XLogP of 14.10, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 158668964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).