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

C84H58BrF5N28OS — CID 159630399

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

2-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-isocyano-1,2,4-triazol-3-yl]pyridine;3-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine (PubChem CID 159630399) has the molecular formula C84H58BrF5N28OS and a molecular weight of 1682.54 g/mol. Its IUPAC name is 2-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-isocyano-1,2,4-triazol-3-yl]pyridine;3-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine.

Molecular Properties

• Compound Name: 2-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-isocyano-1,2,4-triazol-3-yl]pyridine;3-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine
• PubChem CID: 159630399
• Molecular Formula: C84H58BrF5N28OS
• Molecular Weight: 1682.54 g/mol
• Exact Mass: 1680.42
• IUPAC Name: 2-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-isocyano-1,2,4-triazol-3-yl]pyridine;3-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine
• SMILES: Fc1ccccc1Cn1nc(-c2cc(Br)ccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncccn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncon1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1ccccn1.[C-]#[N+]c1nc(-c2ccccn2)nn1Cc1ccccc1F
• InChI: InChI=1S/2C18H13FN6.C17H11BrFN5S.C16H11FN6O.C15H10FN5/c19-14-7-2-1-6-13(14)12-25-18(15-8-3-4-9-20-15)23-17(24-25)16-21-10-5-11-22-16;19-14-7-2-1-6-13(14)12-25-18(17-21-10-5-11-22-17)23-16(24-25)15-8-3-4-9-20-15;18-12-5-6-20-14(9-12)15-22-16(17-21-7-8-25-17)24(23-15)10-11-3-1-2-4-13(11)19;17-12-6-2-1-5-11(12)9-23-16(15-19-10-24-22-15)20-14(21-23)13-7-3-4-8-18-13;1-17-15-19-14(13-8-4-5-9-18-13)20-21(15)10-11-6-2-3-7-12(11)16/h2*1-11H,12H2;1-9H,10H2;1-8,10H,9H2;2-9H,10H2
• InChIKey: MPAVSOGZJLFBDF-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 325.73 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1682.54
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-isocyano-1,2,4-triazol-3-yl]pyridine;3-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine (CID 159630399) is 2-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-isocyano-1,2,4-triazol-3-yl]pyridine;3-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine.

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

The canonical SMILES for 2-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-isocyano-1,2,4-triazol-3-yl]pyridine;3-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine is Fc1ccccc1Cn1nc(-c2cc(Br)ccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncccn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncon1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1ccccn1.[C-]#[N+]c1nc(-c2ccccn2)nn1Cc1ccccc1F.

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

The InChIKey is MPAVSOGZJLFBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13FN6.C17H11BrFN5S.C16H11FN6O.C15H10FN5/c19-14-7-2-1-6-13(14)12-25-18(15-8-3-4-9-20-15)23-17(24-25)16-21-10-5-11-22-16;19-14-7-2-1-6-13(14)12-25-18(17-21-10-5-11-22-17)23-16(24-25)15-8-3-4-9-20-15;18-12-5-6-20-14(9-12)15-22-16(17-21-7-8-25-17)24(23-15)10-11-3-1-2-4-13(11)19;17-12-6-2-1-5-11(12)9-23-16(15-19-10-24-22-15)20-14(21-23)13-7-3-4-8-18-13;1-17-15-19-14(13-8-4-5-9-18-13)20-21(15)10-11-6-2-3-7-12(11)16/h2*1-11H,12H2;1-9H,10H2;1-8,10H,9H2;2-9H,10H2.

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

2-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-isocyano-1,2,4-triazol-3-yl]pyridine;3-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine has a molecular weight of 1682.54 g/mol, XLogP of 16.04, 19 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-isocyano-1,2,4-triazol-3-yl]pyridine;3-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine is sourced from PubChem (CID 159630399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).