4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane

C77H106BBr3N14O9 — CID 159576306

About 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane

4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane (PubChem CID 159576306) has the molecular formula C77H106BBr3N14O9 and a molecular weight of 1622.31 g/mol. Its IUPAC name is 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane.

Molecular Properties

• Compound Name: 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane
• PubChem CID: 159576306
• Molecular Formula: C77H106BBr3N14O9
• Molecular Weight: 1622.31 g/mol
• Exact Mass: 1618.59
• IUPAC Name: 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane
• SMILES: C.C.C.CCOC(C)(OCC)OCC.Cc1c(Br)cnc(N)c1Br.Cc1noc(C)c1-c1cnc(N)c(Br)c1C.Cc1noc(C)c1-c1cnc(N)c(NCc2ccccc2)c1C.Cc1noc(C)c1-c1cnc2nc(C)n(Cc3ccccc3)c2c1C.Cc1noc(C)c1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C20H20N4O.C18H20N4O.C11H18BNO3.C11H12BrN3O.C8H18O3.C6H6Br2N2.3CH4/c1-12-17(18-13(2)23-25-14(18)3)10-21-20-19(12)24(15(4)22-20)11-16-8-6-5-7-9-16;1-11-15(16-12(2)22-23-13(16)3)10-21-18(19)17(11)20-9-14-7-5-4-6-8-14;1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12;1-5-8(4-14-11(13)10(5)12)9-6(2)15-16-7(9)3;1-5-9-8(4,10-6-2)11-7-3;1-3-4(7)2-10-6(9)5(3)8;;;/h5-10H,11H2,1-4H3;4-8,10,20H,9H2,1-3H3,(H2,19,21);1-6H3;4H,1-3H3,(H2,13,14);5-7H2,1-4H3;2H,1H3,(H2,9,10);3*1H4
• InChIKey: MILHNGQQQOBJLZ-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 309.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1622.31
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane?

The IUPAC name of 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane (CID 159576306) is 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane.

What is the SMILES notation for 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane?

The canonical SMILES for 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane is C.C.C.CCOC(C)(OCC)OCC.Cc1c(Br)cnc(N)c1Br.Cc1noc(C)c1-c1cnc(N)c(Br)c1C.Cc1noc(C)c1-c1cnc(N)c(NCc2ccccc2)c1C.Cc1noc(C)c1-c1cnc2nc(C)n(Cc3ccccc3)c2c1C.Cc1noc(C)c1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane?

The InChIKey is MILHNGQQQOBJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O.C18H20N4O.C11H18BNO3.C11H12BrN3O.C8H18O3.C6H6Br2N2.3CH4/c1-12-17(18-13(2)23-25-14(18)3)10-21-20-19(12)24(15(4)22-20)11-16-8-6-5-7-9-16;1-11-15(16-12(2)22-23-13(16)3)10-21-18(19)17(11)20-9-14-7-5-4-6-8-14;1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12;1-5-8(4-14-11(13)10(5)12)9-6(2)15-16-7(9)3;1-5-9-8(4,10-6-2)11-7-3;1-3-4(7)2-10-6(9)5(3)8;;;/h5-10H,11H2,1-4H3;4-8,10,20H,9H2,1-3H3,(H2,19,21);1-6H3;4H,1-3H3,(H2,13,14);5-7H2,1-4H3;2H,1H3,(H2,9,10);3*1H4.

What are the key properties of 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane?

4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane has a molecular weight of 1622.31 g/mol, XLogP of 19.00, 15 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzyl-2,7-dimethylimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;3-N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridine-2,3-diamine;3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-amine;3,5-dibromo-4-methylpyridin-2-amine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;1,1,1-triethoxyethane is sourced from PubChem (CID 159576306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).