5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine

C76H83Br2F6N21O10 — CID 172954227

About 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine

5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 172954227) has the molecular formula C76H83Br2F6N21O10 and a molecular weight of 1724.43 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)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 172954227
• Molecular Formula: C76H83Br2F6N21O10
• Molecular Weight: 1724.43 g/mol
• Exact Mass: 1721.49
• IUPAC Name: 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine
• SMILES: COc1nc(/C(N)=N/OC(C)C(OC)OC)ccc1Br.COc1nc(C2=NC(c3cn(C)c4ncc(C(F)(F)F)cc34)C(C)ON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C)c4ncc(C(F)(F)F)cc34)C(C)ON2)ccc1Br.Cc1cnc2[nH]ccc2c1.Cc1cnc2c(ccn2C)c1.Cc1cnc[nH]1.O=CO
• InChI: InChI=1S/C23H22F3N7O2.C19H17BrF3N5O2.C12H18BrN3O4.C9H10N2.C8H8N2.C4H6N2.CH2O2/c1-12-9-33(11-28-12)18-6-5-17(29-22(18)34-4)20-30-19(13(2)35-31-20)16-10-32(3)21-15(16)7-14(8-27-21)23(24,25)26;1-9-15(26-16(27-30-9)14-5-4-13(20)18(25-14)29-3)12-8-28(2)17-11(12)6-10(7-24-17)19(21,22)23;1-7(12(18-3)19-4)20-16-10(14)9-6-5-8(13)11(15-9)17-2;1-7-5-8-3-4-11(2)9(8)10-6-7;1-6-4-7-2-3-9-8(7)10-5-6;1-4-2-5-3-6-4;2-1-3/h5-11,13,19H,1-4H3,(H,30,31);4-9,15H,1-3H3,(H,26,27);5-7,12H,1-4H3,(H2,14,16);3-6H,1-2H3;2-5H,1H3,(H,9,10);2-3H,1H3,(H,5,6);1H,(H,2,3)
• InChIKey: QJUKVNDUMJYKOH-UHFFFAOYSA-N
• XLogP: 13.74
• TPSA: 365.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1724.43
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine (CID 172954227) is 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine.

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)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine is COc1nc(/C(N)=N/OC(C)C(OC)OC)ccc1Br.COc1nc(C2=NC(c3cn(C)c4ncc(C(F)(F)F)cc34)C(C)ON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C)c4ncc(C(F)(F)F)cc34)C(C)ON2)ccc1Br.Cc1cnc2[nH]ccc2c1.Cc1cnc2c(ccn2C)c1.Cc1cnc[nH]1.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)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is QJUKVNDUMJYKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O2.C19H17BrF3N5O2.C12H18BrN3O4.C9H10N2.C8H8N2.C4H6N2.CH2O2/c1-12-9-33(11-28-12)18-6-5-17(29-22(18)34-4)20-30-19(13(2)35-31-20)16-10-32(3)21-15(16)7-14(8-27-21)23(24,25)26;1-9-15(26-16(27-30-9)14-5-4-13(20)18(25-14)29-3)12-8-28(2)17-11(12)6-10(7-24-17)19(21,22)23;1-7(12(18-3)19-4)20-16-10(14)9-6-5-8(13)11(15-9)17-2;1-7-5-8-3-4-11(2)9(8)10-6-7;1-6-4-7-2-3-9-8(7)10-5-6;1-4-2-5-3-6-4;2-1-3/h5-11,13,19H,1-4H3,(H,30,31);4-9,15H,1-3H3,(H,26,27);5-7,12H,1-4H3,(H2,14,16);3-6H,1-2H3;2-5H,1H3,(H,9,10);2-3H,1H3,(H,5,6);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)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine?

5-bromo-N'-(1,1-dimethoxypropan-2-yloxy)-6-methoxypyridine-2-carboximidamide;3-(5-bromo-6-methoxy-2-pyridinyl)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1724.43 g/mol, XLogP of 13.74, 14 rotatable bonds, 6 hydrogen bond donors, and 27 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)-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;1,5-dimethylpyrrolo[2,3-b]pyridine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole;5-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 172954227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).