3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole

C41H41BrF6N10O4 — CID 157172268

About 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole

3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole (PubChem CID 157172268) has the molecular formula C41H41BrF6N10O4 and a molecular weight of 931.74 g/mol. Its IUPAC name is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole.

Molecular Properties

• Compound Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole
• PubChem CID: 157172268
• Molecular Formula: C41H41BrF6N10O4
• Molecular Weight: 931.74 g/mol
• Exact Mass: 930.24
• IUPAC Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole
• SMILES: C.COc1nc(C2=NC(c3cccc(C(F)(F)F)c3)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cccc(C(F)(F)F)c3)CON2)ccc1Br.Cc1cnc[nH]1
• InChI: InChI=1S/C20H18F3N5O2.C16H13BrF3N3O2.C4H6N2.CH4/c1-12-9-28(11-24-12)17-7-6-15(26-19(17)29-2)18-25-16(10-30-27-18)13-4-3-5-14(8-13)20(21,22)23;1-24-15-11(17)5-6-12(22-15)14-21-13(8-25-23-14)9-3-2-4-10(7-9)16(18,19)20;1-4-2-5-3-6-4;/h3-9,11,16H,10H2,1-2H3,(H,25,27);2-7,13H,8H2,1H3,(H,21,23);2-3H,1H3,(H,5,6);1H4
• InChIKey: ANPLEEDRUHWTIA-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 157.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	931.74
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole (CID 157172268) is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole.

What is the SMILES notation for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The canonical SMILES for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole is C.COc1nc(C2=NC(c3cccc(C(F)(F)F)c3)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cccc(C(F)(F)F)c3)CON2)ccc1Br.Cc1cnc[nH]1.

What is the InChIKey of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The InChIKey is ANPLEEDRUHWTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2.C16H13BrF3N3O2.C4H6N2.CH4/c1-12-9-28(11-24-12)17-7-6-15(26-19(17)29-2)18-25-16(10-30-27-18)13-4-3-5-14(8-13)20(21,22)23;1-24-15-11(17)5-6-12(22-15)14-21-13(8-25-23-14)9-3-2-4-10(7-9)16(18,19)20;1-4-2-5-3-6-4;/h3-9,11,16H,10H2,1-2H3,(H,25,27);2-7,13H,8H2,1H3,(H,21,23);2-3H,1H3,(H,5,6);1H4.

What are the key properties of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole has a molecular weight of 931.74 g/mol, XLogP of 8.87, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole is sourced from PubChem (CID 157172268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).