7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C44H44BBrF2N14O6 — CID 158176016

About 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 158176016) has the molecular formula C44H44BBrF2N14O6 and a molecular weight of 993.64 g/mol. Its IUPAC name is 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 158176016
• Molecular Formula: C44H44BBrF2N14O6
• Molecular Weight: 993.64 g/mol
• Exact Mass: 992.28
• IUPAC Name: 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: CC1(C)OB(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)OC1(C)C.Cc1nc2cc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)ccn2n1.Cc1nc2cc(Br)ccn2n1
• InChI: InChI=1S/C19H16FN7O2.C18H22BFN4O4.C7H6BrN3/c1-12-22-18-8-13(4-6-27(18)23-12)16-3-2-14(9-17(16)20)26-11-15(29-19(26)28)10-25-7-5-21-24-25;1-17(2)18(3,4)28-19(27-17)14-6-5-12(9-15(14)20)24-11-13(26-16(24)25)10-23-8-7-21-22-23;1-5-9-7-4-6(8)2-3-11(7)10-5/h2-9,15H,10-11H2,1H3;5-9,13H,10-11H2,1-4H3;2-4H,1H3/t15-;13-;/m00./s1
• InChIKey: FXZVXBGQFVDGRL-XCRQIHEVSA-N
• XLogP: 6.00
• TPSA: 199.34 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	993.64
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 158176016) is 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CC1(C)OB(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)OC1(C)C.Cc1nc2cc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)ccn2n1.Cc1nc2cc(Br)ccn2n1.

What is the InChIKey of 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is FXZVXBGQFVDGRL-XCRQIHEVSA-N. The full InChI is InChI=1S/C19H16FN7O2.C18H22BFN4O4.C7H6BrN3/c1-12-22-18-8-13(4-6-27(18)23-12)16-3-2-14(9-17(16)20)26-11-15(29-19(26)28)10-25-7-5-21-24-25;1-17(2)18(3,4)28-19(27-17)14-6-5-12(9-15(14)20)24-11-13(26-16(24)25)10-23-8-7-21-22-23;1-5-9-7-4-6(8)2-3-11(7)10-5/h2-9,15H,10-11H2,1H3;5-9,13H,10-11H2,1-4H3;2-4H,1H3/t15-;13-;/m00./s1.

What are the key properties of 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 993.64 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 158176016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).