2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole

C124H101N13S4 — CID 158458487

About 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole

2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole (PubChem CID 158458487) has the molecular formula C124H101N13S4 and a molecular weight of 1901.53 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole
• PubChem CID: 158458487
• Molecular Formula: C124H101N13S4
• Molecular Weight: 1901.53 g/mol
• Exact Mass: 1899.72
• IUPAC Name: 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole
• SMILES: Cc1ccnn1-c1cccc(Cc2cc(-c3ccccn3)cc(C(C)(C)C)c2)c1.c1cc(Cc2cccc(-c3nccs3)c2)cc(-c2nccs2)c1.c1ccc(-c2cc(Cc3cc(-c4ccccc4)cc(-c4nccs4)c3)cc(-c3nccs3)c2)cc1.c1ccc(-c2cccc(Cc3cccc(-n4cccn4)c3)c2)nc1.c1ccc(-c2ccnn2-c2cccc(Cc3cccc(-c4ccccn4)c3)c2)cc1
• InChI: InChI=1S/C31H22N2S2.C27H21N3.C26H27N3.C21H17N3.C19H14N2S2/c1-3-7-24(8-4-1)26-16-22(18-28(20-26)30-32-11-13-34-30)15-23-17-27(25-9-5-2-6-10-25)21-29(19-23)31-33-12-14-35-31;1-2-10-23(11-3-1)27-15-17-29-30(27)25-13-7-9-22(20-25)18-21-8-6-12-24(19-21)26-14-4-5-16-28-26;1-19-11-13-28-29(19)24-9-7-8-20(17-24)14-21-15-22(25-10-5-6-12-27-25)18-23(16-21)26(2,3)4;1-2-11-22-21(10-1)19-8-3-6-17(15-19)14-18-7-4-9-20(16-18)24-13-5-12-23-24;1-3-14(12-16(5-1)18-20-7-9-22-18)11-15-4-2-6-17(13-15)19-21-8-10-23-19/h1-14,16-21H,15H2;1-17,19-20H,18H2;5-13,15-18H,14H2,1-4H3;1-13,15-16H,14H2;1-10,12-13H,11H2
• InChIKey: HEWDWLOPHJHUBQ-UHFFFAOYSA-N
• XLogP: 31.23
• TPSA: 143.69 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1901.53
LogP ≤ 5	31.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole?

The IUPAC name of 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole (CID 158458487) is 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole.

What is the SMILES notation for 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole?

The canonical SMILES for 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole is Cc1ccnn1-c1cccc(Cc2cc(-c3ccccn3)cc(C(C)(C)C)c2)c1.c1cc(Cc2cccc(-c3nccs3)c2)cc(-c2nccs2)c1.c1ccc(-c2cc(Cc3cc(-c4ccccc4)cc(-c4nccs4)c3)cc(-c3nccs3)c2)cc1.c1ccc(-c2cccc(Cc3cccc(-n4cccn4)c3)c2)nc1.c1ccc(-c2ccnn2-c2cccc(Cc3cccc(-c4ccccn4)c3)c2)cc1.

What is the InChIKey of 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole?

The InChIKey is HEWDWLOPHJHUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2S2.C27H21N3.C26H27N3.C21H17N3.C19H14N2S2/c1-3-7-24(8-4-1)26-16-22(18-28(20-26)30-32-11-13-34-30)15-23-17-27(25-9-5-2-6-10-25)21-29(19-23)31-33-12-14-35-31;1-2-10-23(11-3-1)27-15-17-29-30(27)25-13-7-9-22(20-25)18-21-8-6-12-24(19-21)26-14-4-5-16-28-26;1-19-11-13-28-29(19)24-9-7-8-20(17-24)14-21-15-22(25-10-5-6-12-27-25)18-23(16-21)26(2,3)4;1-2-11-22-21(10-1)19-8-3-6-17(15-19)14-18-7-4-9-20(16-18)24-13-5-12-23-24;1-3-14(12-16(5-1)18-20-7-9-22-18)11-15-4-2-6-17(13-15)19-21-8-10-23-19/h1-14,16-21H,15H2;1-17,19-20H,18H2;5-13,15-18H,14H2,1-4H3;1-13,15-16H,14H2;1-10,12-13H,11H2.

What are the key properties of 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole?

2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole has a molecular weight of 1901.53 g/mol, XLogP of 31.23, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[[3-(5-methylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-phenyl-5-[[3-phenyl-5-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole;2-[3-[[3-(5-phenylpyrazol-1-yl)phenyl]methyl]phenyl]pyridine;2-[3-[(3-pyrazol-1-ylphenyl)methyl]phenyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 158458487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).