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

C91H91Cl3F2N20O8 — CID 161305356

IUPAC[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
SMILESCc1ccc(OC2CC3CCC2N(C(=O)c2c(F)cccc2-c2ncccn2)C3)nc1.Cc1cnc(OC2CC3CCC2N(C(=O)c2cc(C)ccc2-n2nccn2)C3)c(Cl)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2cccc(F)c2-n2nccn2)C3)c(Cl)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)c(Cl)c1
InChIInChI=1S/C24H23FN4O2.C23H24ClN5O2.C22H21ClFN5O2.C22H23ClN6O2/c1-15-6-9-21(28-13-15)31-20-12-16-7-8-19(20)29(14-16)24(30)22-17(4-2-5-18(22)25)23-26-10-3-11-27-23;1-14-3-5-19(29-26-7-8-27-29)17(9-14)23(30)28-13-16-4-6-20(28)21(11-16)31-22-18(24)10-15(2)12-25-22;1-13-9-16(23)21(25-11-13)31-19-10-14-5-6-18(19)28(12-14)22(30)15-3-2-4-17(24)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/h2-6,9-11,13,16,19-20H,7-8,12,14H2,1H3;3,5,7-10,12,16,20-21H,4,6,11,13H2,1-2H3;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
InChIKeyVIECQKHLIOEPPO-UHFFFAOYSA-N
MW1737.22 g/mol
LogP15.30
Rot. Bonds16

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

[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone (PubChem CID 161305356) has the molecular formula C91H91Cl3F2N20O8 and a molecular weight of 1737.22 g/mol. Its IUPAC name is [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone.

Molecular Properties

Compound Name[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
PubChem CID161305356
Molecular FormulaC91H91Cl3F2N20O8
Molecular Weight1737.22 g/mol
Exact Mass1734.64
IUPAC Name[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
SMILESCc1ccc(OC2CC3CCC2N(C(=O)c2c(F)cccc2-c2ncccn2)C3)nc1.Cc1cnc(OC2CC3CCC2N(C(=O)c2cc(C)ccc2-n2nccn2)C3)c(Cl)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2cccc(F)c2-n2nccn2)C3)c(Cl)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)c(Cl)c1
InChIInChI=1S/C24H23FN4O2.C23H24ClN5O2.C22H21ClFN5O2.C22H23ClN6O2/c1-15-6-9-21(28-13-15)31-20-12-16-7-8-19(20)29(14-16)24(30)22-17(4-2-5-18(22)25)23-26-10-3-11-27-23;1-14-3-5-19(29-26-7-8-27-29)17(9-14)23(30)28-13-16-4-6-20(28)21(11-16)31-22-18(24)10-15(2)12-25-22;1-13-9-16(23)21(25-11-13)31-19-10-14-5-6-18(19)28(12-14)22(30)15-3-2-4-17(24)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/h2-6,9-11,13,16,19-20H,7-8,12,14H2,1H3;3,5,7-10,12,16,20-21H,4,6,11,13H2,1-2H3;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
InChIKeyVIECQKHLIOEPPO-UHFFFAOYSA-N
XLogP15.30
TPSA300.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001737.22
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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

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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]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The IUPAC name of [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone (CID 161305356) is [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone.
What is the SMILES notation for [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The canonical SMILES for [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone is Cc1ccc(OC2CC3CCC2N(C(=O)c2c(F)cccc2-c2ncccn2)C3)nc1.Cc1cnc(OC2CC3CCC2N(C(=O)c2cc(C)ccc2-n2nccn2)C3)c(Cl)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2cccc(F)c2-n2nccn2)C3)c(Cl)c1.Cc1cnc(OC2CC3CCC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)c(Cl)c1.
What is the InChIKey of [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The InChIKey is VIECQKHLIOEPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2.C23H24ClN5O2.C22H21ClFN5O2.C22H23ClN6O2/c1-15-6-9-21(28-13-15)31-20-12-16-7-8-19(20)29(14-16)24(30)22-17(4-2-5-18(22)25)23-26-10-3-11-27-23;1-14-3-5-19(29-26-7-8-27-29)17(9-14)23(30)28-13-16-4-6-20(28)21(11-16)31-22-18(24)10-15(2)12-25-22;1-13-9-16(23)21(25-11-13)31-19-10-14-5-6-18(19)28(12-14)22(30)15-3-2-4-17(24)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/h2-6,9-11,13,16,19-20H,7-8,12,14H2,1H3;3,5,7-10,12,16,20-21H,4,6,11,13H2,1-2H3;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.
What are the key properties of [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone has a molecular weight of 1737.22 g/mol, XLogP of 15.30, 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]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone is sourced from PubChem (CID 161305356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).