2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide)

C106H144BBrN22O19S4Si2 — CID 158299327

About 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide)

2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide) (PubChem CID 158299327) has the molecular formula C106H144BBrN22O19S4Si2 and a molecular weight of 2305.61 g/mol. Its IUPAC name is 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide).

Molecular Properties

• Compound Name: 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide)
• PubChem CID: 158299327
• Molecular Formula: C106H144BBrN22O19S4Si2
• Molecular Weight: 2305.61 g/mol
• Exact Mass: 2302.87
• IUPAC Name: 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide)
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.Cc1ccc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)nc1.Cc1ccc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)nc1.Cc1ccc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1.Cc1ccc(Br)nc1.N#CCC(=O)O.O=S=O.O=S=O.O=S=O.O=S=O
• InChI: InChI=1S/C29H49BN4O5Si.C29H43N5O3Si.C21H22N6O.C18H21N5.C6H6BrN.C3H3NO2.4O2S/c1-27(2,3)37-26(35)33-14-11-12-21(19-33)32-24-22-13-15-34(20-36-16-17-40(8,9)10)25(22)31-18-23(24)30-38-28(4,5)29(6,7)39-30;1-21-10-11-25(30-17-21)24-18-31-27-23(12-14-34(27)20-36-15-16-38(5,6)7)26(24)32-22-9-8-13-33(19-22)28(35)37-29(2,3)4;1-14-4-5-18(24-11-14)17-12-25-21-16(7-9-23-21)20(17)26-15-3-2-10-27(13-15)19(28)6-8-22;1-12-4-5-16(21-9-12)15-11-22-18-14(6-8-20-18)17(15)23-13-3-2-7-19-10-13;1-5-2-3-6(7)8-4-5;4-2-1-3(5)6;4*1-3-2/h13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);10-12,14,17-18,22H,8-9,13,15-16,19-20H2,1-7H3,(H,31,32);4-5,7,9,11-12,15H,2-3,6,10,13H2,1H3,(H2,23,25,26);4-6,8-9,11,13,19H,2-3,7,10H2,1H3,(H2,20,22,23);2-4H,1H3;1H2,(H,5,6);;;;/t21-;22-;15-;13-;;;;;;/m1111....../s1
• InChIKey: GMHQCMNAMBGNSN-DQOPWAHZSA-N
• XLogP: 17.79
• TPSA: 542.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2305.61
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide)?

The IUPAC name of 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide) (CID 158299327) is 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide).

What is the SMILES notation for 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide)?

The canonical SMILES for 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide) is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.Cc1ccc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)nc1.Cc1ccc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)nc1.Cc1ccc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1.Cc1ccc(Br)nc1.N#CCC(=O)O.O=S=O.O=S=O.O=S=O.O=S=O.

What is the InChIKey of 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide)?

The InChIKey is GMHQCMNAMBGNSN-DQOPWAHZSA-N. The full InChI is InChI=1S/C29H49BN4O5Si.C29H43N5O3Si.C21H22N6O.C18H21N5.C6H6BrN.C3H3NO2.4O2S/c1-27(2,3)37-26(35)33-14-11-12-21(19-33)32-24-22-13-15-34(20-36-16-17-40(8,9)10)25(22)31-18-23(24)30-38-28(4,5)29(6,7)39-30;1-21-10-11-25(30-17-21)24-18-31-27-23(12-14-34(27)20-36-15-16-38(5,6)7)26(24)32-22-9-8-13-33(19-22)28(35)37-29(2,3)4;1-14-4-5-18(24-11-14)17-12-25-21-16(7-9-23-21)20(17)26-15-3-2-10-27(13-15)19(28)6-8-22;1-12-4-5-16(21-9-12)15-11-22-18-14(6-8-20-18)17(15)23-13-3-2-7-19-10-13;1-5-2-3-6(7)8-4-5;4-2-1-3(5)6;4*1-3-2/h13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);10-12,14,17-18,22H,8-9,13,15-16,19-20H2,1-7H3,(H,31,32);4-5,7,9,11-12,15H,2-3,6,10,13H2,1H3,(H2,23,25,26);4-6,8-9,11,13,19H,2-3,7,10H2,1H3,(H2,20,22,23);2-4H,1H3;1H2,(H,5,6);;;;/t21-;22-;15-;13-;;;;;;/m1111....../s1.

What are the key properties of 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide)?

2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide) has a molecular weight of 2305.61 g/mol, XLogP of 17.79, 24 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-methylpyridine;tert-butyl (3R)-3-[[5-(5-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-(5-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;tetrakis(sulfur dioxide) is sourced from PubChem (CID 158299327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).