[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone

C159H179Cl5FN19O8S — CID 162257097

About [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone

[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 162257097) has the molecular formula C159H179Cl5FN19O8S and a molecular weight of 2712.64 g/mol. Its IUPAC name is [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
• PubChem CID: 162257097
• Molecular Formula: C159H179Cl5FN19O8S
• Molecular Weight: 2712.64 g/mol
• Exact Mass: 2708.23
• IUPAC Name: [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
• SMILES: CC(C)NS(=O)(=O)Nc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3F)cc2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)O)c4)c3)c(Cl)c2)CC1.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCCC(C)C2)cc1Cl.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCCC(C)C2)cc1Cl
• InChI: InChI=1S/3C28H32ClN3O.C27H30FN3O.C25H26ClN3O2.C23H27ClN4O2S/c1-18-9-12-32(13-10-18)27(33)21-6-7-22(25(29)14-21)24-17-30-16-23(19(24)2)20-8-11-31-26(15-20)28(3,4)5;2*1-18-7-6-12-32(17-18)27(33)21-8-9-22(25(29)13-21)24-16-30-15-23(19(24)2)20-10-11-31-26(14-20)28(3,4)5;1-18-10-13-31(14-11-18)26(32)20-7-5-19(6-8-20)22-16-29-17-23(25(22)28)21-9-12-30-24(15-21)27(2,3)4;1-16-6-9-29(10-7-16)25(31)19-3-4-22(23(26)12-19)21-11-20(14-27-15-21)18-5-8-28-24(13-18)17(2)30;1-15(2)27-31(29,30)28-19-6-7-20(21(24)12-19)18-10-17(13-25-14-18)16-8-9-26-22(11-16)23(3,4)5/h6-8,11,14-18H,9-10,12-13H2,1-5H3;2*8-11,13-16,18H,6-7,12,17H2,1-5H3;5-9,12,15-18H,10-11,13-14H2,1-4H3;3-5,8,11-17,30H,6-7,9-10H2,1-2H3;6-15,27-28H,1-5H3
• InChIKey: ZYSVSEAWVIJOKL-UHFFFAOYSA-N
• XLogP: 37.75
• TPSA: 334.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2712.64
LogP ≤ 5	37.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

The IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 162257097) is [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

What is the SMILES notation for [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

The canonical SMILES for [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone is CC(C)NS(=O)(=O)Nc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3F)cc2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)O)c4)c3)c(Cl)c2)CC1.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCCC(C)C2)cc1Cl.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCCC(C)C2)cc1Cl.

What is the InChIKey of [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

The InChIKey is ZYSVSEAWVIJOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H32ClN3O.C27H30FN3O.C25H26ClN3O2.C23H27ClN4O2S/c1-18-9-12-32(13-10-18)27(33)21-6-7-22(25(29)14-21)24-17-30-16-23(19(24)2)20-8-11-31-26(15-20)28(3,4)5;2*1-18-7-6-12-32(17-18)27(33)21-8-9-22(25(29)13-21)24-16-30-15-23(19(24)2)20-10-11-31-26(14-20)28(3,4)5;1-18-10-13-31(14-11-18)26(32)20-7-5-19(6-8-20)22-16-29-17-23(25(22)28)21-9-12-30-24(15-21)27(2,3)4;1-16-6-9-29(10-7-16)25(31)19-3-4-22(23(26)12-19)21-11-20(14-27-15-21)18-5-8-28-24(13-18)17(2)30;1-15(2)27-31(29,30)28-19-6-7-20(21(24)12-19)18-10-17(13-25-14-18)16-8-9-26-22(11-16)23(3,4)5/h6-8,11,14-18H,9-10,12-13H2,1-5H3;2*8-11,13-16,18H,6-7,12,17H2,1-5H3;5-9,12,15-18H,10-11,13-14H2,1-4H3;3-5,8,11-17,30H,6-7,9-10H2,1-2H3;6-15,27-28H,1-5H3.

What are the key properties of [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 2712.64 g/mol, XLogP of 37.75, 22 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 162257097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).