5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole

C75H76Br2F8IN17O10 — CID 172947822

About 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole

5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole (PubChem CID 172947822) has the molecular formula C75H76Br2F8IN17O10 and a molecular weight of 1814.24 g/mol. Its IUPAC name is 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole.

Molecular Properties

• Compound Name: 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole
• PubChem CID: 172947822
• Molecular Formula: C75H76Br2F8IN17O10
• Molecular Weight: 1814.24 g/mol
• Exact Mass: 1811.32
• IUPAC Name: 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole
• SMILES: CI.COc1nc(/C(N)=N/OC(C)C(OC)OC)ccc1Br.COc1nc(C2=NC(c3cn(C)c4cc(F)c(F)cc34)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C)c4cc(F)c(F)cc34)CON2)ccc1Br.Cc1cnc[nH]1.Cn1ccc2cc(F)c(F)cc21.Fc1cc2cc[nH]c2cc1F.O=CO
• InChI: InChI=1S/C22H20F2N6O2.C18H15BrF2N4O2.C12H18BrN3O4.C9H7F2N.C8H5F2N.C4H6N2.CH3I.CH2O2/c1-12-8-30(11-25-12)19-5-4-17(27-22(19)31-3)21-26-18(10-32-28-21)14-9-29(2)20-7-16(24)15(23)6-13(14)20;1-25-7-10(9-5-12(20)13(21)6-16(9)25)15-8-27-24-17(22-15)14-4-3-11(19)18(23-14)26-2;1-7(12(18-3)19-4)20-16-10(14)9-6-5-8(13)11(15-9)17-2;1-12-3-2-6-4-7(10)8(11)5-9(6)12;9-6-3-5-1-2-11-8(5)4-7(6)10;1-4-2-5-3-6-4;1-2;2-1-3/h4-9,11,18H,10H2,1-3H3,(H,26,28);3-7,15H,8H2,1-2H3,(H,22,24);5-7,12H,1-4H3,(H2,14,16);2-5H,1H3;1-4,11H;2-3H,1H3,(H,5,6);1H3;1H,(H,2,3)
• InChIKey: IIDFBPHSPYFLFK-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 314.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1814.24
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole?

The IUPAC name of 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole (CID 172947822) is 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole.

What is the SMILES notation for 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole?

The canonical SMILES for 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole is CI.COc1nc(/C(N)=N/OC(C)C(OC)OC)ccc1Br.COc1nc(C2=NC(c3cn(C)c4cc(F)c(F)cc34)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C)c4cc(F)c(F)cc34)CON2)ccc1Br.Cc1cnc[nH]1.Cn1ccc2cc(F)c(F)cc21.Fc1cc2cc[nH]c2cc1F.O=CO.

What is the InChIKey of 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole?

The InChIKey is IIDFBPHSPYFLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O2.C18H15BrF2N4O2.C12H18BrN3O4.C9H7F2N.C8H5F2N.C4H6N2.CH3I.CH2O2/c1-12-8-30(11-25-12)19-5-4-17(27-22(19)31-3)21-26-18(10-32-28-21)14-9-29(2)20-7-16(24)15(23)6-13(14)20;1-25-7-10(9-5-12(20)13(21)6-16(9)25)15-8-27-24-17(22-15)14-4-3-11(19)18(23-14)26-2;1-7(12(18-3)19-4)20-16-10(14)9-6-5-8(13)11(15-9)17-2;1-12-3-2-6-4-7(10)8(11)5-9(6)12;9-6-3-5-1-2-11-8(5)4-7(6)10;1-4-2-5-3-6-4;1-2;2-1-3/h4-9,11,18H,10H2,1-3H3,(H,26,28);3-7,15H,8H2,1-2H3,(H,22,24);5-7,12H,1-4H3,(H2,14,16);2-5H,1H3;1-4,11H;2-3H,1H3,(H,5,6);1H3;1H,(H,2,3).

What are the key properties of 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole?

5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole has a molecular weight of 1814.24 g/mol, XLogP of 14.89, 14 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-5-(5,6-difluoro-1-methylindol-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5,6-difluoro-1H-indole;5,6-difluoro-1-methylindole;5-(5,6-difluoro-1-methylindol-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;iodomethane;5-methyl-1H-imidazole is sourced from PubChem (CID 172947822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).