2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate

C142H146Cl6N16O8 — CID 158751308

About 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate

2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate (PubChem CID 158751308) has the molecular formula C142H146Cl6N16O8 and a molecular weight of 2417.55 g/mol. Its IUPAC name is 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate
• PubChem CID: 158751308
• Molecular Formula: C142H146Cl6N16O8
• Molecular Weight: 2417.55 g/mol
• Exact Mass: 2412.96
• IUPAC Name: 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate
• SMILES: CC(C)OC(=O)N(C)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC(C)OC(=O)Nc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4OCCO5)c3)c(Cl)c2)CC1.Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.Cc1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1
• InChI: InChI=1S/C27H30ClN3O.C25H24ClN3O3.C25H28ClN3O2.C24H26ClN3O2.C21H21ClN2.C20H17ClN2/c1-18-8-11-31(12-9-18)26(32)20-5-6-23(24(28)14-20)22-13-21(16-29-17-22)19-7-10-30-25(15-19)27(2,3)4;1-16-5-8-29(9-6-16)25(30)17-2-3-20(22(26)13-17)18-12-19(15-27-14-18)21-4-7-28-24-23(21)31-10-11-32-24;1-16(2)31-24(30)29(6)20-7-8-21(22(26)13-20)19-11-18(14-27-15-19)17-9-10-28-23(12-17)25(3,4)5;1-15(2)30-23(29)28-19-6-7-20(21(25)12-19)18-10-17(13-26-14-18)16-8-9-27-22(11-16)24(3,4)5;1-14-5-6-18(19(22)9-14)17-10-16(12-23-13-17)15-7-8-24-20(11-15)21(2,3)4;1-13-2-5-18(19(21)8-13)17-9-16(11-22-12-17)15-6-7-23-20(10-15)14-3-4-14/h5-7,10,13-18H,8-9,11-12H2,1-4H3;2-4,7,12-16H,5-6,8-11H2,1H3;7-16H,1-6H3;6-15H,1-5H3,(H,28,29);5-13H,1-4H3;2,5-12,14H,3-4H2,1H3
• InChIKey: INNBIZMUIFTZGR-UHFFFAOYSA-N
• XLogP: 36.92
• TPSA: 281.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2417.55
LogP ≤ 5	36.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate?

The IUPAC name of 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate (CID 158751308) is 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate.

What is the SMILES notation for 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate?

The canonical SMILES for 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate is CC(C)OC(=O)N(C)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC(C)OC(=O)Nc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4OCCO5)c3)c(Cl)c2)CC1.Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.Cc1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1.

What is the InChIKey of 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate?

The InChIKey is INNBIZMUIFTZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O.C25H24ClN3O3.C25H28ClN3O2.C24H26ClN3O2.C21H21ClN2.C20H17ClN2/c1-18-8-11-31(12-9-18)26(32)20-5-6-23(24(28)14-20)22-13-21(16-29-17-22)19-7-10-30-25(15-19)27(2,3)4;1-16-5-8-29(9-6-16)25(30)17-2-3-20(22(26)13-17)18-12-19(15-27-14-18)21-4-7-28-24-23(21)31-10-11-32-24;1-16(2)31-24(30)29(6)20-7-8-21(22(26)13-20)19-11-18(14-27-15-19)17-9-10-28-23(12-17)25(3,4)5;1-15(2)30-23(29)28-19-6-7-20(21(25)12-19)18-10-17(13-26-14-18)16-8-9-27-22(11-16)24(3,4)5;1-14-5-6-18(19(22)9-14)17-10-16(12-23-13-17)15-7-8-24-20(11-15)21(2,3)4;1-13-2-5-18(19(21)8-13)17-9-16(11-22-12-17)15-6-7-23-20(10-15)14-3-4-14/h5-7,10,13-18H,8-9,11-12H2,1-4H3;2-4,7,12-16H,5-6,8-11H2,1H3;7-16H,1-6H3;6-15H,1-5H3,(H,28,29);5-13H,1-4H3;2,5-12,14H,3-4H2,1H3.

What are the key properties of 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate?

2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate has a molecular weight of 2417.55 g/mol, XLogP of 36.92, 19 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate is sourced from PubChem (CID 158751308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).