2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine

C138H141Cl6N17O8S2 — CID 161123942

About 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine

2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine (PubChem CID 161123942) has the molecular formula C138H141Cl6N17O8S2 and a molecular weight of 2442.61 g/mol. Its IUPAC name is 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine
• PubChem CID: 161123942
• Molecular Formula: C138H141Cl6N17O8S2
• Molecular Weight: 2442.61 g/mol
• Exact Mass: 2437.87
• IUPAC Name: 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine
• SMILES: CC(C)(C)c1cc(-c2cncc(-c3ccc(N4CCCCC4=O)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(N4CCCCS4(=O)=O)cc3Cl)c2)ccn1.CC(C)NNC(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CCc1ccc(-c2cccc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CCc1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1.O=S(=O)(Nc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1)NC1CC1
• InChI: InChI=1S/C25H26ClN3O.C24H27ClN4O.C24H26ClN3O2S.C23H24ClN.C21H19ClN4O4S.C21H19ClN2/c1-25(2,3)23-13-17(9-10-28-23)18-12-19(16-27-15-18)21-8-7-20(14-22(21)26)29-11-5-4-6-24(29)30;1-15(2)28-29-23(30)17-6-7-20(21(25)11-17)19-10-18(13-26-14-19)16-8-9-27-22(12-16)24(3,4)5;1-24(2,3)23-13-17(8-9-27-23)18-12-19(16-26-15-18)21-7-6-20(14-22(21)25)28-10-4-5-11-31(28,29)30;1-5-16-9-10-20(21(24)13-16)19-8-6-7-17(14-19)18-11-12-25-22(15-18)23(2,3)4;22-19-10-16(26-31(27,28)25-15-1-2-15)3-4-17(19)13-9-14(12-23-11-13)18-5-6-24-21-20(18)29-7-8-30-21;1-2-14-3-6-19(20(22)9-14)18-10-17(12-23-13-18)16-7-8-24-21(11-16)15-4-5-15/h7-10,12-16H,4-6,11H2,1-3H3;6-15,28H,1-5H3,(H,29,30);6-9,12-16H,4-5,10-11H2,1-3H3;6-15H,5H2,1-4H3;3-6,9-12,15,25-26H,1-2,7-8H2;3,6-13,15H,2,4-5H2,1H3
• InChIKey: ULHQWFBCIDGRQH-UHFFFAOYSA-N
• XLogP: 33.85
• TPSA: 317.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.61
LogP ≤ 5	33.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine?

The IUPAC name of 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine (CID 161123942) is 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine.

What is the SMILES notation for 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine?

The canonical SMILES for 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine is CC(C)(C)c1cc(-c2cncc(-c3ccc(N4CCCCC4=O)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(N4CCCCS4(=O)=O)cc3Cl)c2)ccn1.CC(C)NNC(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CCc1ccc(-c2cccc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CCc1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1.O=S(=O)(Nc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1)NC1CC1.

What is the InChIKey of 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine?

The InChIKey is ULHQWFBCIDGRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O.C24H27ClN4O.C24H26ClN3O2S.C23H24ClN.C21H19ClN4O4S.C21H19ClN2/c1-25(2,3)23-13-17(9-10-28-23)18-12-19(16-27-15-18)21-8-7-20(14-22(21)26)29-11-5-4-6-24(29)30;1-15(2)28-29-23(30)17-6-7-20(21(25)11-17)19-10-18(13-26-14-19)16-8-9-27-22(12-16)24(3,4)5;1-24(2,3)23-13-17(8-9-27-23)18-12-19(16-26-15-18)21-7-6-20(14-22(21)25)28-10-4-5-11-31(28,29)30;1-5-16-9-10-20(21(24)13-16)19-8-6-7-17(14-19)18-11-12-25-22(15-18)23(2,3)4;22-19-10-16(26-31(27,28)25-15-1-2-15)3-4-17(19)13-9-14(12-23-11-13)18-5-6-24-21-20(18)29-7-8-30-21;1-2-14-3-6-19(20(22)9-14)18-10-17(12-23-13-18)16-7-8-24-21(11-16)15-4-5-15/h7-10,12-16H,4-6,11H2,1-3H3;6-15,28H,1-5H3,(H,29,30);6-9,12-16H,4-5,10-11H2,1-3H3;6-15H,5H2,1-4H3;3-6,9-12,15,25-26H,1-2,7-8H2;3,6-13,15H,2,4-5H2,1H3.

What are the key properties of 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine?

2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine has a molecular weight of 2442.61 g/mol, XLogP of 33.85, 24 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-[3-(2-chloro-4-ethylphenyl)phenyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]piperidin-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]thiazinane 1,1-dioxide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N'-propan-2-ylbenzohydrazide;3-chloro-N-(cyclopropylsulfamoyl)-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]aniline;3-(2-chloro-4-ethylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine is sourced from PubChem (CID 161123942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).