2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone

C149H159Cl4N17O10S2 — CID 157279511

About 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone

2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 157279511) has the molecular formula C149H159Cl4N17O10S2 and a molecular weight of 2553.97 g/mol. Its IUPAC name is 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
• PubChem CID: 157279511
• Molecular Formula: C149H159Cl4N17O10S2
• Molecular Weight: 2553.97 g/mol
• Exact Mass: 2550.07
• IUPAC Name: 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
• SMILES: CC(=O)NS(=O)(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(C)c1.CC(=O)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1.CC(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.Cc1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1.Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1
• InChI: InChI=1S/C28H32ClN3O.C27H33N3O2S.C25H24ClN3O2.C24H24ClN3O.C23H25N3O3S.C22H21ClN2O/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;1-19-9-12-30(13-10-19)33(31,32)24-6-7-25(20(2)14-24)23-15-22(17-28-18-23)21-8-11-29-26(16-21)27(3,4)5;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;1-16-6-9-28(10-7-16)24(29)19-3-4-22(23(25)13-19)21-12-20(14-26-15-21)18-5-8-27-17(2)11-18;1-15-10-20(30(28,29)26-16(2)27)6-7-21(15)19-11-18(13-24-14-19)17-8-9-25-22(12-17)23(3,4)5;1-14(26)15-5-6-19(20(23)10-15)18-9-17(12-24-13-18)16-7-8-25-21(11-16)22(2,3)4/h6-8,11,14-18H,9-10,12-13H2,1-5H3;6-8,11,14-19H,9-10,12-13H2,1-5H3;3-5,8,11-16H,6-7,9-10H2,1-2H3;3-5,8,11-16H,6-7,9-10H2,1-2H3;6-14H,1-5H3,(H,26,27);5-13H,1-4H3
• InChIKey: AZMNNONQOCYHGB-UHFFFAOYSA-N
• XLogP: 34.17
• TPSA: 350.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2553.97
LogP ≤ 5	34.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

The IUPAC name of 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 157279511) is 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

What is the SMILES notation for 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

The canonical SMILES for 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone is CC(=O)NS(=O)(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(C)c1.CC(=O)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1.CC(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.Cc1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1.Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.

What is the InChIKey of 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

The InChIKey is AZMNNONQOCYHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O.C27H33N3O2S.C25H24ClN3O2.C24H24ClN3O.C23H25N3O3S.C22H21ClN2O/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;1-19-9-12-30(13-10-19)33(31,32)24-6-7-25(20(2)14-24)23-15-22(17-28-18-23)21-8-11-29-26(16-21)27(3,4)5;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;1-16-6-9-28(10-7-16)24(29)19-3-4-22(23(25)13-19)21-12-20(14-26-15-21)18-5-8-27-17(2)11-18;1-15-10-20(30(28,29)26-16(2)27)6-7-21(15)19-11-18(13-24-14-19)17-8-9-25-22(12-17)23(3,4)5;1-14(26)15-5-6-19(20(23)10-15)18-9-17(12-24-13-18)16-7-8-25-21(11-16)22(2,3)4/h6-8,11,14-18H,9-10,12-13H2,1-5H3;6-8,11,14-19H,9-10,12-13H2,1-5H3;3-5,8,11-16H,6-7,9-10H2,1-2H3;3-5,8,11-16H,6-7,9-10H2,1-2H3;6-14H,1-5H3,(H,26,27);5-13H,1-4H3.

What are the key properties of 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 2553.97 g/mol, XLogP of 34.17, 21 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonylacetamide;1-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone;[3-chloro-4-[5-(2-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 157279511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).