2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

C112H131BBr9N27O13 — CID 159553677

About 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (PubChem CID 159553677) has the molecular formula C112H131BBr9N27O13 and a molecular weight of 2793.40 g/mol. Its IUPAC name is 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

Molecular Properties

• Compound Name: 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
• PubChem CID: 159553677
• Molecular Formula: C112H131BBr9N27O13
• Molecular Weight: 2793.40 g/mol
• Exact Mass: 2783.32
• IUPAC Name: 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
• SMILES: C.C1COCCN1.CC1(C)OB(c2ccc3c(c2)CN=C3)OC1(C)C.CCOC(CBr)OCC.Cc1c(-c2ccc3c(c2)CN=C3)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.Cc1c(Br)cc(Br)c2nccn12.Cc1c(Br)cc(Br)c2nccn12.Cc1c(Br)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.Cc1nc(N)c(Br)cc1Br.Nc1ccc(N2CCOCC2)cn1.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(N2CCOCC2)cn1
• InChI: InChI=1S/C25H24N6O.C17H18BrN5O.C14H18BNO2.C9H11N3O3.C9H13N3O.2C8H6Br2N2.C6H6Br2N2.C6H13BrO2.C5H3BrN2O2.C4H9NO.CH4/c1-17-22(18-2-3-19-14-26-15-20(19)12-18)13-23(25-27-6-7-31(17)25)29-24-5-4-21(16-28-24)30-8-10-32-11-9-30;1-12-14(18)10-15(17-19-4-5-23(12)17)21-16-3-2-13(11-20-16)22-6-8-24-9-7-22;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12;13-12(14)9-2-1-8(7-10-9)11-3-5-15-6-4-11;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12;2*1-5-6(9)4-7(10)8-11-2-3-12(5)8;1-3-4(7)2-5(8)6(9)10-3;1-3-8-6(5-7)9-4-2;6-4-1-2-5(7-3-4)8(9)10;1-3-6-4-2-5-1;/h2-7,12-14,16H,8-11,15H2,1H3,(H,28,29);2-5,10-11H,6-9H2,1H3,(H,20,21);5-8H,9H2,1-4H3;1-2,7H,3-6H2;1-2,7H,3-6H2,(H2,10,11);2*2-4H,1H3;2H,1H3,(H2,9,10);6H,3-5H2,1-2H3;1-3H;5H,1-4H2;1H4
• InChIKey: MFSFWPCOQLSCSW-UHFFFAOYSA-N
• XLogP: 23.45
• TPSA: 441.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 17
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2793.40
LogP ≤ 5	23.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The IUPAC name of 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (CID 159553677) is 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

What is the SMILES notation for 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The canonical SMILES for 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is C.C1COCCN1.CC1(C)OB(c2ccc3c(c2)CN=C3)OC1(C)C.CCOC(CBr)OCC.Cc1c(-c2ccc3c(c2)CN=C3)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.Cc1c(Br)cc(Br)c2nccn12.Cc1c(Br)cc(Br)c2nccn12.Cc1c(Br)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.Cc1nc(N)c(Br)cc1Br.Nc1ccc(N2CCOCC2)cn1.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(N2CCOCC2)cn1.

What is the InChIKey of 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The InChIKey is MFSFWPCOQLSCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O.C17H18BrN5O.C14H18BNO2.C9H11N3O3.C9H13N3O.2C8H6Br2N2.C6H6Br2N2.C6H13BrO2.C5H3BrN2O2.C4H9NO.CH4/c1-17-22(18-2-3-19-14-26-15-20(19)12-18)13-23(25-27-6-7-31(17)25)29-24-5-4-21(16-28-24)30-8-10-32-11-9-30;1-12-14(18)10-15(17-19-4-5-23(12)17)21-16-3-2-13(11-20-16)22-6-8-24-9-7-22;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12;13-12(14)9-2-1-8(7-10-9)11-3-5-15-6-4-11;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12;2*1-5-6(9)4-7(10)8-11-2-3-12(5)8;1-3-4(7)2-5(8)6(9)10-3;1-3-8-6(5-7)9-4-2;6-4-1-2-5(7-3-4)8(9)10;1-3-6-4-2-5-1;/h2-7,12-14,16H,8-11,15H2,1H3,(H,28,29);2-5,10-11H,6-9H2,1H3,(H,20,21);5-8H,9H2,1-4H3;1-2,7H,3-6H2;1-2,7H,3-6H2,(H2,10,11);2*2-4H,1H3;2H,1H3,(H2,9,10);6H,3-5H2,1-2H3;1-3H;5H,1-4H2;1H4.

What are the key properties of 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole has a molecular weight of 2793.40 g/mol, XLogP of 23.45, 17 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1,1-diethoxyethane;6-bromo-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-bromo-2-nitropyridine;bis(6,8-dibromo-5-methylimidazo[1,2-a]pyridine);3,5-dibromo-6-methylpyridin-2-amine;6-(3H-isoindol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine;methane;morpholine;5-morpholin-4-ylpyridin-2-amine;4-(6-nitro-3-pyridinyl)morpholine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is sourced from PubChem (CID 159553677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).