2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole

C63H45BrF4N20OS3 — CID 159120437

About 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole

2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 159120437) has the molecular formula C63H45BrF4N20OS3 and a molecular weight of 1350.29 g/mol. Its IUPAC name is 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
• PubChem CID: 159120437
• Molecular Formula: C63H45BrF4N20OS3
• Molecular Weight: 1350.29 g/mol
• Exact Mass: 1348.24
• IUPAC Name: 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
• SMILES: Fc1ccccc1Cn1nc(-c2ccccn2)nc1Br.Fc1ccccc1Cn1nc(-c2cocn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1nccs1.Nc1cccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)n1
• InChI: InChI=1S/C17H13FN6S.C17H12FN5O.C15H10FN5S2.C14H10BrFN4/c18-12-5-2-1-4-11(12)10-24-16(17-20-8-9-25-17)22-15(23-24)13-6-3-7-14(19)21-13;18-13-6-2-1-5-12(13)9-23-17(14-7-3-4-8-19-14)21-16(22-23)15-10-24-11-20-15;16-11-4-2-1-3-10(11)9-21-13(15-18-6-8-23-15)19-12(20-21)14-17-5-7-22-14;15-14-18-13(12-7-3-4-8-17-12)19-20(14)9-10-5-1-2-6-11(10)16/h1-9H,10H2,(H2,19,21);1-8,10-11H,9H2;1-8H,9H2;1-8H,9H2
• InChIKey: KFPZTLNLWMOKJO-UHFFFAOYSA-N
• XLogP: 13.42
• TPSA: 252.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.29
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?

The IUPAC name of 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole (CID 159120437) is 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole.

What is the SMILES notation for 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?

The canonical SMILES for 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole is Fc1ccccc1Cn1nc(-c2ccccn2)nc1Br.Fc1ccccc1Cn1nc(-c2cocn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1nccs1.Nc1cccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)n1.

What is the InChIKey of 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?

The InChIKey is KFPZTLNLWMOKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6S.C17H12FN5O.C15H10FN5S2.C14H10BrFN4/c18-12-5-2-1-4-11(12)10-24-16(17-20-8-9-25-17)22-15(23-24)13-6-3-7-14(19)21-13;18-13-6-2-1-5-12(13)9-23-17(14-7-3-4-8-19-14)21-16(22-23)15-10-24-11-20-15;16-11-4-2-1-3-10(11)9-21-13(15-18-6-8-23-15)19-12(20-21)14-17-5-7-22-14;15-14-18-13(12-7-3-4-8-17-12)19-20(14)9-10-5-1-2-6-11(10)16/h1-9H,10H2,(H2,19,21);1-8,10-11H,9H2;1-8H,9H2;1-8H,9H2.

What are the key properties of 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?

2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 1350.29 g/mol, XLogP of 13.42, 15 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 159120437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).