azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate

C99H132BBrClN15O11S4Si2Y — CID 157181574

About azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate

azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate (PubChem CID 157181574) has the molecular formula C99H132BBrClN15O11S4Si2Y and a molecular weight of 2107.75 g/mol. Its IUPAC name is azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate.

Molecular Properties

• Compound Name: azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate
• PubChem CID: 157181574
• Molecular Formula: C99H132BBrClN15O11S4Si2Y
• Molecular Weight: 2107.75 g/mol
• Exact Mass: 2104.67
• IUPAC Name: azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate
• SMILES: C.C.C.C.C#C[Si](C)(C)C.Cc1ccc(N)nc1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(C)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cc(C)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3cc(C)cnc32)cc1.Cc1cnc(N)c(C#C[Si](C)(C)C)c1.Cc1cnc(N)c(C)c1.Cc1cnc2[nH]ccc2c1.N.O.[Y]
• InChI: InChI=1S/C21H25BN2O4S.C15H13BrN2O2S.C15H14N2O2S.C11H16N2Si.C8H8N2.C7H7ClO2S.C7H10N2.C6H8N2.C5H10Si.4CH4.H3N.H2O.Y/c1-14-7-9-16(10-8-14)29(25,26)24-13-18(17-11-15(2)12-23-19(17)24)22-27-20(3,4)21(5,6)28-22;1-10-3-5-12(6-4-10)21(19,20)18-9-14(16)13-7-11(2)8-17-15(13)18;1-11-3-5-14(6-4-11)20(18,19)17-8-7-13-9-12(2)10-16-15(13)17;1-9-7-10(11(12)13-8-9)5-6-14(2,3)4;1-6-4-7-2-3-9-8(7)10-5-6;1-6-2-4-7(5-3-6)11(8,9)10;1-5-3-6(2)7(8)9-4-5;1-5-2-3-6(7)8-4-5;1-5-6(2,3)4;;;;;;;/h7-13H,1-6H3;3-9H,1-2H3;3-10H,1-2H3;7-8H,1-4H3,(H2,12,13);2-5H,1H3,(H,9,10);2-5H,1H3;3-4H,1-2H3,(H2,8,9);2-4H,1H3,(H2,7,8);1H,2-4H3;4*1H4;1H3;1H2
• InChIKey: UQWMFFSFFCYLJK-UHFFFAOYSA-N
• XLogP: 21.36
• TPSA: 420.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2107.75
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate?

The IUPAC name of azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate (CID 157181574) is azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate.

What is the SMILES notation for azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate?

The canonical SMILES for azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate is C.C.C.C.C#C[Si](C)(C)C.Cc1ccc(N)nc1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(C)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cc(C)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3cc(C)cnc32)cc1.Cc1cnc(N)c(C#C[Si](C)(C)C)c1.Cc1cnc(N)c(C)c1.Cc1cnc2[nH]ccc2c1.N.O.[Y].

What is the InChIKey of azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate?

The InChIKey is UQWMFFSFFCYLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BN2O4S.C15H13BrN2O2S.C15H14N2O2S.C11H16N2Si.C8H8N2.C7H7ClO2S.C7H10N2.C6H8N2.C5H10Si.4CH4.H3N.H2O.Y/c1-14-7-9-16(10-8-14)29(25,26)24-13-18(17-11-15(2)12-23-19(17)24)22-27-20(3,4)21(5,6)28-22;1-10-3-5-12(6-4-10)21(19,20)18-9-14(16)13-7-11(2)8-17-15(13)18;1-11-3-5-14(6-4-11)20(18,19)17-8-7-13-9-12(2)10-16-15(13)17;1-9-7-10(11(12)13-8-9)5-6-14(2,3)4;1-6-4-7-2-3-9-8(7)10-5-6;1-6-2-4-7(5-3-6)11(8,9)10;1-5-3-6(2)7(8)9-4-5;1-5-2-3-6(7)8-4-5;1-5-6(2,3)4;;;;;;;/h7-13H,1-6H3;3-9H,1-2H3;3-10H,1-2H3;7-8H,1-4H3,(H2,12,13);2-5H,1H3,(H,9,10);2-5H,1H3;3-4H,1-2H3,(H2,8,9);2-4H,1H3,(H2,7,8);1H,2-4H3;4*1H4;1H3;1H2;.

What are the key properties of azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate?

azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate has a molecular weight of 2107.75 g/mol, XLogP of 21.36, 8 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate is sourced from PubChem (CID 157181574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).