4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine

C67H47Br2F4N23S2 — CID 157468445

About 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine

4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 157468445) has the molecular formula C67H47Br2F4N23S2 and a molecular weight of 1474.21 g/mol. Its IUPAC name is 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine
• PubChem CID: 157468445
• Molecular Formula: C67H47Br2F4N23S2
• Molecular Weight: 1474.21 g/mol
• Exact Mass: 1471.21
• IUPAC Name: 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine
• SMILES: Fc1ccccc1Cn1nc(-c2cc(Br)ccn2)nc1-c1cscn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1ccnc1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1cncn1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1cc(Br)ccn1
• InChI: InChI=1S/2C17H11BrFN5S.C17H13FN6.C16H12FN7/c18-12-5-6-20-14(7-12)17-22-16(15-9-25-10-21-15)23-24(17)8-11-3-1-2-4-13(11)19;18-12-5-6-20-14(7-12)16-22-17(15-9-25-10-21-15)24(23-16)8-11-3-1-2-4-13(11)19;18-14-6-2-1-5-13(14)11-24-17(23-10-9-19-12-23)21-16(22-24)15-7-3-4-8-20-15;17-13-6-2-1-5-12(13)9-23-16(24-11-18-10-20-24)21-15(22-23)14-7-3-4-8-19-14/h2*1-7,9-10H,8H2;1-10,12H,11H2;1-8,10-11H,9H2
• InChIKey: BUSZMUIPVYRSFW-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 248.71 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1474.21
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine?

The IUPAC name of 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine (CID 157468445) is 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine.

What is the SMILES notation for 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine?

The canonical SMILES for 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine is Fc1ccccc1Cn1nc(-c2cc(Br)ccn2)nc1-c1cscn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1ccnc1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1cncn1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1cc(Br)ccn1.

What is the InChIKey of 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine?

The InChIKey is BUSZMUIPVYRSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11BrFN5S.C17H13FN6.C16H12FN7/c18-12-5-6-20-14(7-12)17-22-16(15-9-25-10-21-15)23-24(17)8-11-3-1-2-4-13(11)19;18-12-5-6-20-14(7-12)16-22-17(15-9-25-10-21-15)24(23-16)8-11-3-1-2-4-13(11)19;18-14-6-2-1-5-13(14)11-24-17(23-10-9-19-12-23)21-16(22-24)15-7-3-4-8-20-15;17-13-6-2-1-5-12(13)9-23-16(24-11-18-10-20-24)21-15(22-23)14-7-3-4-8-19-14/h2*1-7,9-10H,8H2;1-10,12H,11H2;1-8,10-11H,9H2.

What are the key properties of 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine?

4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 1474.21 g/mol, XLogP of 13.65, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 157468445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).