[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione

C112H115BBr4ClN15O14RuS — CID 160657613

About [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione

[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione (PubChem CID 160657613) has the molecular formula C112H115BBr4ClN15O14RuS and a molecular weight of 2394.26 g/mol. Its IUPAC name is [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione.

Molecular Properties

• Compound Name: [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione
• PubChem CID: 160657613
• Molecular Formula: C112H115BBr4ClN15O14RuS
• Molecular Weight: 2394.26 g/mol
• Exact Mass: 2389.40
• IUPAC Name: [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione
• SMILES: Brc1cncc(Br)c1.CC(=O)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1.CN(C)C(=O)C(=O)c1cncc(Br)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1c[nH]c2ncc(-c3cncc([C@H](O)C(=O)N(C)C)c3)cc12.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]([NH-])c2ccccc2)cc1.Cc1cncc(Br)c1.Cl[Ru+3].[CH3-]
• InChI: InChI=1S/C23H22N4O3.C23H20N4O3.C21H20N2O2S.C14H18BNO4.C10H14.C9H9BrN2O2.C6H6BrN.C5H3Br2N.CH3.ClH.Ru/c2*1-27(2)23(29)21(28)16-8-14(10-24-11-16)15-9-18-19(13-26-22(18)25-12-15)17-6-4-5-7-20(17)30-3;1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-9(17)12(18)10-6-11(8-16-7-10)15-19-13(2,3)14(4,5)20-15;1-8(2)10-6-4-9(3)5-7-10;1-12(2)9(14)8(13)6-3-7(10)5-11-4-6;1-5-2-6(7)4-8-3-5;6-4-1-5(7)3-8-2-4;;;/h4-13,21,28H,1-3H3,(H,25,26);4-13H,1-3H3,(H,25,26);2-15,20-22H,1H3;6-8H,1-5H3;4-8H,1-3H3;3-5H,1-2H3;2-4H,1H3;1-3H;1H3;1H;/q;;-2;;;;;;-1;;+4/p-1/t21-;;20-,21-;;;;;;;;/m0.0......../s1
• InChIKey: RLGFNUQSRZGLTG-DFKVLLDGSA-M
• XLogP: 23.87
• TPSA: 393.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2394.26
LogP ≤ 5	23.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione?

The IUPAC name of [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione (CID 160657613) is [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione.

What is the SMILES notation for [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione?

The canonical SMILES for [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione is Brc1cncc(Br)c1.CC(=O)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1.CN(C)C(=O)C(=O)c1cncc(Br)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1c[nH]c2ncc(-c3cncc([C@H](O)C(=O)N(C)C)c3)cc12.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]([NH-])c2ccccc2)cc1.Cc1cncc(Br)c1.Cl[Ru+3].[CH3-].

What is the InChIKey of [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione?

The InChIKey is RLGFNUQSRZGLTG-DFKVLLDGSA-M. The full InChI is InChI=1S/C23H22N4O3.C23H20N4O3.C21H20N2O2S.C14H18BNO4.C10H14.C9H9BrN2O2.C6H6BrN.C5H3Br2N.CH3.ClH.Ru/c2*1-27(2)23(29)21(28)16-8-14(10-24-11-16)15-9-18-19(13-26-22(18)25-12-15)17-6-4-5-7-20(17)30-3;1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-9(17)12(18)10-6-11(8-16-7-10)15-19-13(2,3)14(4,5)20-15;1-8(2)10-6-4-9(3)5-7-10;1-12(2)9(14)8(13)6-3-7(10)5-11-4-6;1-5-2-6(7)4-8-3-5;6-4-1-5(7)3-8-2-4;;;/h4-13,21,28H,1-3H3,(H,25,26);4-13H,1-3H3,(H,25,26);2-15,20-22H,1H3;6-8H,1-5H3;4-8H,1-3H3;3-5H,1-2H3;2-4H,1H3;1-3H;1H3;1H;/q;;-2;;;;;;-1;;+4/p-1/t21-;;20-,21-;;;;;;;;/m0.0......../s1.

What are the key properties of [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione?

[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione has a molecular weight of 2394.26 g/mol, XLogP of 23.87, 22 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;3-bromo-5-methylpyridine;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propane-1,2-dione is sourced from PubChem (CID 160657613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).