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

C93H92ClF3N22O5 — CID 159541182

IUPAC[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESCc1cnc(NC2CC3CCC2N(C(=O)c2c(F)cccc2-c2ncccn2)C3)cn1.Cc1cnc(NC2CC3CCC2N(C(=O)c2cc(F)ccc2-c2ncccn2)C3)cn1.Cc1cnc(NC2CC3CCC2N(C(=O)c2ccccc2-c2ncccn2)C3)cn1.Cc1cnc(OC2CC3CCC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)c(Cl)c1
InChIInChI=1S/C24H22ClFN4O2.2C23H23FN6O.C23H24N6O/c1-14-10-17(25)23(29-12-14)32-20-11-15-6-7-19(20)30(13-15)24(31)16-4-2-5-18(26)21(16)22-27-8-3-9-28-22;1-14-11-28-21(12-27-14)29-19-9-15-3-6-20(19)30(13-15)23(31)18-10-16(24)4-5-17(18)22-25-7-2-8-26-22;1-14-11-28-20(12-27-14)29-18-10-15-6-7-19(18)30(13-15)23(31)21-16(4-2-5-17(21)24)22-25-8-3-9-26-22;1-15-12-27-21(13-26-15)28-19-11-16-7-8-20(19)29(14-16)23(30)18-6-3-2-5-17(18)22-24-9-4-10-25-22/h2-5,8-10,12,15,19-20H,6-7,11,13H2,1H3;2,4-5,7-8,10-12,15,19-20H,3,6,9,13H2,1H3,(H,28,29);2-5,8-9,11-12,15,18-19H,6-7,10,13H2,1H3,(H,28,29);2-6,9-10,12-13,16,19-20H,7-8,11,14H2,1H3,(H,27,28)
InChIKeyMEFRAXAOCKYBBP-UHFFFAOYSA-N
MW1690.35 g/mol
LogP15.03
Rot. Bonds16

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

[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone (PubChem CID 159541182) has the molecular formula C93H92ClF3N22O5 and a molecular weight of 1690.35 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-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone
PubChem CID159541182
Molecular FormulaC93H92ClF3N22O5
Molecular Weight1690.35 g/mol
Exact Mass1688.73
IUPAC Name[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESCc1cnc(NC2CC3CCC2N(C(=O)c2c(F)cccc2-c2ncccn2)C3)cn1.Cc1cnc(NC2CC3CCC2N(C(=O)c2cc(F)ccc2-c2ncccn2)C3)cn1.Cc1cnc(NC2CC3CCC2N(C(=O)c2ccccc2-c2ncccn2)C3)cn1.Cc1cnc(OC2CC3CCC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)c(Cl)c1
InChIInChI=1S/C24H22ClFN4O2.2C23H23FN6O.C23H24N6O/c1-14-10-17(25)23(29-12-14)32-20-11-15-6-7-19(20)30(13-15)24(31)16-4-2-5-18(26)21(16)22-27-8-3-9-28-22;1-14-11-28-21(12-27-14)29-19-9-15-3-6-20(19)30(13-15)23(31)18-10-16(24)4-5-17(18)22-25-7-2-8-26-22;1-14-11-28-20(12-27-14)29-18-10-15-6-7-19(18)30(13-15)23(31)21-16(4-2-5-17(21)24)22-25-8-3-9-26-22;1-15-12-27-21(13-26-15)28-19-11-16-7-8-20(19)29(14-16)23(30)18-6-3-2-5-17(18)22-24-9-4-10-25-22/h2-5,8-10,12,15,19-20H,6-7,11,13H2,1H3;2,4-5,7-8,10-12,15,19-20H,3,6,9,13H2,1H3,(H,28,29);2-5,8-9,11-12,15,18-19H,6-7,10,13H2,1H3,(H,28,29);2-6,9-10,12-13,16,19-20H,7-8,11,14H2,1H3,(H,27,28)
InChIKeyMEFRAXAOCKYBBP-UHFFFAOYSA-N
XLogP15.03
TPSA319.91 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001690.35
LogP ≤ 515.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-methoxy-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-methoxy-6-pyrimidin-2-ylphenyl)methanone;(2-methoxy-6-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.2]octan-2-yl]methanone;(2-methoxy-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 158524122
[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 160600004
[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-methoxy-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-methoxy-6-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-methoxy-6-pyrimidin-2-ylphenyl)methanone;(2-methoxy-6-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 162093853
[6-[(3-chloro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 126745646
(3-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,6R)-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 175896503
(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 161315075
[6-(5-chloropyrimidin-2-yl)oxy-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 140702454
[(1S,4R,6R)-6-(5-chloropyrimidin-2-yl)oxy-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 118876552
[2-(5-fluoropyrimidin-2-yl)phenyl]-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 126745472
(4-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,4S,6R)-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 140702394
[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(1S,6R)-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 175790688
(5-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,4S,6R)-6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 140702369

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-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone (CID 159541182) is [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)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-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone is Cc1cnc(NC2CC3CCC2N(C(=O)c2c(F)cccc2-c2ncccn2)C3)cn1.Cc1cnc(NC2CC3CCC2N(C(=O)c2cc(F)ccc2-c2ncccn2)C3)cn1.Cc1cnc(NC2CC3CCC2N(C(=O)c2ccccc2-c2ncccn2)C3)cn1.Cc1cnc(OC2CC3CCC2N(C(=O)c2cccc(F)c2-c2ncccn2)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-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is MEFRAXAOCKYBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O2.2C23H23FN6O.C23H24N6O/c1-14-10-17(25)23(29-12-14)32-20-11-15-6-7-19(20)30(13-15)24(31)16-4-2-5-18(26)21(16)22-27-8-3-9-28-22;1-14-11-28-21(12-27-14)29-19-9-15-3-6-20(19)30(13-15)23(31)18-10-16(24)4-5-17(18)22-25-7-2-8-26-22;1-14-11-28-20(12-27-14)29-18-10-15-6-7-19(18)30(13-15)23(31)21-16(4-2-5-17(21)24)22-25-8-3-9-26-22;1-15-12-27-21(13-26-15)28-19-11-16-7-8-20(19)29(14-16)23(30)18-6-3-2-5-17(18)22-24-9-4-10-25-22/h2-5,8-10,12,15,19-20H,6-7,11,13H2,1H3;2,4-5,7-8,10-12,15,19-20H,3,6,9,13H2,1H3,(H,28,29);2-5,8-9,11-12,15,18-19H,6-7,10,13H2,1H3,(H,28,29);2-6,9-10,12-13,16,19-20H,7-8,11,14H2,1H3,(H,27,28).
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-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone?
[6-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 1690.35 g/mol, XLogP of 15.03, 16 rotatable bonds, 3 hydrogen bond donors, and 23 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-pyrimidin-2-ylphenyl)methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 159541182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).