[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone

C91H82Cl3F4N17O8 — CID 158118635

IUPAC[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
SMILESCc1ccc(OC2CC3CCC2N(C(=O)c2cccc(F)c2-n2nccn2)C3)nc1.O=C(c1c(F)cccc1-c1ncccn1)N1CC2CCC1C(Oc1ccc(Cl)cn1)C2.O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CCC1C(Oc1ccc(Cl)cn1)C2.O=C(c1ccc(F)cc1-c1ncccn1)N1CC2CCC1C(Oc1ccc(Cl)cn1)C2
InChIInChI=1S/3C23H20ClFN4O2.C22H22FN5O2/c24-15-3-7-21(28-12-15)31-20-10-14-2-6-19(20)29(13-14)23(30)17-5-4-16(25)11-18(17)22-26-8-1-9-27-22;24-15-3-7-21(28-12-15)31-20-10-14-2-6-19(20)29(13-14)23(30)18-11-16(25)4-5-17(18)22-26-8-1-9-27-22;24-15-6-8-20(28-12-15)31-19-11-14-5-7-18(19)29(13-14)23(30)21-16(3-1-4-17(21)25)22-26-9-2-10-27-22;1-14-5-8-20(24-12-14)30-19-11-15-6-7-18(19)27(13-15)22(29)16-3-2-4-17(23)21(16)28-25-9-10-26-28/h2*1,3-5,7-9,11-12,14,19-20H,2,6,10,13H2;1-4,6,8-10,12,14,18-19H,5,7,11,13H2;2-5,8-10,12,15,18-19H,6-7,11,13H2,1H3
InChIKeyFRIHDOLHJWFOCJ-UHFFFAOYSA-N
MW1724.12 g/mol
LogP16.39
Rot. Bonds16

About [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone

[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone (PubChem CID 158118635) has the molecular formula C91H82Cl3F4N17O8 and a molecular weight of 1724.12 g/mol. Its IUPAC name is [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone.

Molecular Properties

Compound Name[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
PubChem CID158118635
Molecular FormulaC91H82Cl3F4N17O8
Molecular Weight1724.12 g/mol
Exact Mass1721.55
IUPAC Name[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
SMILESCc1ccc(OC2CC3CCC2N(C(=O)c2cccc(F)c2-n2nccn2)C3)nc1.O=C(c1c(F)cccc1-c1ncccn1)N1CC2CCC1C(Oc1ccc(Cl)cn1)C2.O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CCC1C(Oc1ccc(Cl)cn1)C2.O=C(c1ccc(F)cc1-c1ncccn1)N1CC2CCC1C(Oc1ccc(Cl)cn1)C2
InChIInChI=1S/3C23H20ClFN4O2.C22H22FN5O2/c24-15-3-7-21(28-12-15)31-20-10-14-2-6-19(20)29(13-14)23(30)17-5-4-16(25)11-18(17)22-26-8-1-9-27-22;24-15-3-7-21(28-12-15)31-20-10-14-2-6-19(20)29(13-14)23(30)18-11-16(25)4-5-17(18)22-26-8-1-9-27-22;24-15-6-8-20(28-12-15)31-19-11-14-5-7-18(19)29(13-14)23(30)21-16(3-1-4-17(21)25)22-26-9-2-10-27-22;1-14-5-8-20(24-12-14)30-19-11-15-6-7-18(19)27(13-15)22(29)16-3-2-4-17(23)21(16)28-25-9-10-26-28/h2*1,3-5,7-9,11-12,14,19-20H,2,6,10,13H2;1-4,6,8-10,12,14,18-19H,5,7,11,13H2;2-5,8-10,12,15,18-19H,6-7,11,13H2,1H3
InChIKeyFRIHDOLHJWFOCJ-UHFFFAOYSA-N
XLogP16.39
TPSA277.77 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001724.12
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

US9611277, Example 271
CID 117637892
2-[(1S,4R,6R)-6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-6-(5-fluoropyrimidin-2-yl)benzaldehyde
CID 117630952
[(1S,4R,6R)-6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone
CID 117630953
6-[(1S,4R,6R)-6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-3-fluoro-2-pyrimidin-2-ylbenzaldehyde
CID 117631416
[(1S,4R,6R)-6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 117631418
[6-[(5-Chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 117637743
[6-[(5-Chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone
CID 117637780
[6-[(5-Chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone
CID 117637783
[6-[(5-Chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 117637867
[6-[(5-Chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone
CID 117637880
[(1S,4R,6R)-6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone
CID 118876630
[(1S,4R,6R)-6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 118876825

Frequently Asked Questions

What is the IUPAC name of [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The IUPAC name of [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone (CID 158118635) is [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone.
What is the SMILES notation for [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The canonical SMILES for [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone is Cc1ccc(OC2CC3CCC2N(C(=O)c2cccc(F)c2-n2nccn2)C3)nc1.O=C(c1c(F)cccc1-c1ncccn1)N1CC2CCC1C(Oc1ccc(Cl)cn1)C2.O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CCC1C(Oc1ccc(Cl)cn1)C2.O=C(c1ccc(F)cc1-c1ncccn1)N1CC2CCC1C(Oc1ccc(Cl)cn1)C2.
What is the InChIKey of [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The InChIKey is FRIHDOLHJWFOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H20ClFN4O2.C22H22FN5O2/c24-15-3-7-21(28-12-15)31-20-10-14-2-6-19(20)29(13-14)23(30)17-5-4-16(25)11-18(17)22-26-8-1-9-27-22;24-15-3-7-21(28-12-15)31-20-10-14-2-6-19(20)29(13-14)23(30)18-11-16(25)4-5-17(18)22-26-8-1-9-27-22;24-15-6-8-20(28-12-15)31-19-11-14-5-7-18(19)29(13-14)23(30)21-16(3-1-4-17(21)25)22-26-9-2-10-27-22;1-14-5-8-20(24-12-14)30-19-11-15-6-7-18(19)27(13-15)22(29)16-3-2-4-17(23)21(16)28-25-9-10-26-28/h2*1,3-5,7-9,11-12,14,19-20H,2,6,10,13H2;1-4,6,8-10,12,14,18-19H,5,7,11,13H2;2-5,8-10,12,15,18-19H,6-7,11,13H2,1H3.
What are the key properties of [6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone has a molecular weight of 1724.12 g/mol, XLogP of 16.39, 16 rotatable bonds, 0 hydrogen bond donors, and 21 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]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone is sourced from PubChem (CID 158118635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).