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

C88H86Cl4N22O8 — CID 157470644

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

[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 157470644) has the molecular formula C88H86Cl4N22O8 and a molecular weight of 1721.61 g/mol. Its IUPAC name is [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• PubChem CID: 157470644
• Molecular Formula: C88H86Cl4N22O8
• Molecular Weight: 1721.61 g/mol
• Exact Mass: 1718.58
• IUPAC Name: [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• SMILES: Cc1ccc(-n2nccn2)c(C(=O)N2CC3CCC2C(Oc2ccc(Cl)cn2)C3)n1.Cc1ccc(C(=O)N2CC3CCC2C(Oc2ccc(Cl)cn2)C3)c(-c2ncccn2)n1.Cc1cnc(-n2nccn2)c(C(=O)N2CC3CCC2C(Oc2ccc(Cl)cn2)C3)c1.Cc1cnc(C(=O)N2CC3CCC2C(Oc2ccc(Cl)cn2)C3)c(-c2ncccn2)c1
• InChI: InChI=1S/2C23H22ClN5O2.2C21H21ClN6O2/c1-14-3-6-17(21(28-14)22-25-9-2-10-26-22)23(30)29-13-15-4-7-18(29)19(11-15)31-20-8-5-16(24)12-27-20;1-14-9-17(22-25-7-2-8-26-22)21(28-11-14)23(30)29-13-15-3-5-18(29)19(10-15)31-20-6-4-16(24)12-27-20;1-13-2-5-17(28-24-8-9-25-28)20(26-13)21(29)27-12-14-3-6-16(27)18(10-14)30-19-7-4-15(22)11-23-19;1-13-8-16(20(24-10-13)28-25-6-7-26-28)21(29)27-12-14-2-4-17(27)18(9-14)30-19-5-3-15(22)11-23-19/h2-3,5-6,8-10,12,15,18-19H,4,7,11,13H2,1H3;2,4,6-9,11-12,15,18-19H,3,5,10,13H2,1H3;2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3;3,5-8,10-11,14,17-18H,2,4,9,12H2,1H3
• InChIKey: BUZMCGJMBYDRAU-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 334.26 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1721.61
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 157470644) is [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

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

The canonical SMILES for [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CC3CCC2C(Oc2ccc(Cl)cn2)C3)n1.Cc1ccc(C(=O)N2CC3CCC2C(Oc2ccc(Cl)cn2)C3)c(-c2ncccn2)n1.Cc1cnc(-n2nccn2)c(C(=O)N2CC3CCC2C(Oc2ccc(Cl)cn2)C3)c1.Cc1cnc(C(=O)N2CC3CCC2C(Oc2ccc(Cl)cn2)C3)c(-c2ncccn2)c1.

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

The InChIKey is BUZMCGJMBYDRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22ClN5O2.2C21H21ClN6O2/c1-14-3-6-17(21(28-14)22-25-9-2-10-26-22)23(30)29-13-15-4-7-18(29)19(11-15)31-20-8-5-16(24)12-27-20;1-14-9-17(22-25-7-2-8-26-22)21(28-11-14)23(30)29-13-15-3-5-18(29)19(10-15)31-20-6-4-16(24)12-27-20;1-13-2-5-17(28-24-8-9-25-28)20(26-13)21(29)27-12-14-3-6-16(27)18(10-14)30-19-7-4-15(22)11-23-19;1-13-8-16(20(24-10-13)28-25-6-7-26-28)21(29)27-12-14-2-4-17(27)18(9-14)30-19-5-3-15(22)11-23-19/h2-3,5-6,8-10,12,15,18-19H,4,7,11,13H2,1H3;2,4,6-9,11-12,15,18-19H,3,5,10,13H2,1H3;2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3;3,5-8,10-11,14,17-18H,2,4,9,12H2,1H3.

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

[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 1721.61 g/mol, XLogP of 14.12, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 157470644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).