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

C42H40BBrF2N14O6 — CID 160616648

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

7-bromo-[1,2,4]triazolo[1,5-a]pyridine;(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;(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 160616648) has the molecular formula C42H40BBrF2N14O6 and a molecular weight of 965.59 g/mol. Its IUPAC name is 7-bromo-[1,2,4]triazolo[1,5-a]pyridine;(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;(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 7-bromo-[1,2,4]triazolo[1,5-a]pyridine;(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;(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 160616648
• Molecular Formula: C42H40BBrF2N14O6
• Molecular Weight: 965.59 g/mol
• Exact Mass: 964.25
• IUPAC Name: 7-bromo-[1,2,4]triazolo[1,5-a]pyridine;(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;(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: Brc1ccn2ncnc2c1.CC1(C)OB(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)OC1(C)C.O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccn3ncnc3c2)c(F)c1
• InChI: InChI=1S/C18H22BFN4O4.C18H14FN7O2.C6H4BrN3/c1-17(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;19-16-8-13(25-10-14(28-18(25)27)9-24-6-4-21-23-24)1-2-15(16)12-3-5-26-17(7-12)20-11-22-26;7-5-1-2-10-6(3-5)8-4-9-10/h5-9,13H,10-11H2,1-4H3;1-8,11,14H,9-10H2;1-4H/t13-;14-;/m00./s1
• InChIKey: RGEHBKTXYDDEPK-QLCUVSBJSA-N
• XLogP: 5.39
• TPSA: 199.34 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	965.59
LogP ≤ 5	5.39
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-[1,2,4]triazolo[1,5-a]pyridine;(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;(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of 7-bromo-[1,2,4]triazolo[1,5-a]pyridine;(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;(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 160616648) is 7-bromo-[1,2,4]triazolo[1,5-a]pyridine;(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;(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

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

The canonical SMILES for 7-bromo-[1,2,4]triazolo[1,5-a]pyridine;(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;(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is Brc1ccn2ncnc2c1.CC1(C)OB(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)OC1(C)C.O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccn3ncnc3c2)c(F)c1.

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

The InChIKey is RGEHBKTXYDDEPK-QLCUVSBJSA-N. The full InChI is InChI=1S/C18H22BFN4O4.C18H14FN7O2.C6H4BrN3/c1-17(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;19-16-8-13(25-10-14(28-18(25)27)9-24-6-4-21-23-24)1-2-15(16)12-3-5-26-17(7-12)20-11-22-26;7-5-1-2-10-6(3-5)8-4-9-10/h5-9,13H,10-11H2,1-4H3;1-8,11,14H,9-10H2;1-4H/t13-;14-;/m00./s1.

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

7-bromo-[1,2,4]triazolo[1,5-a]pyridine;(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;(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 965.59 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-[1,2,4]triazolo[1,5-a]pyridine;(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;(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 160616648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).