sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide

C111H144Br2Cl4N23NaO6 — CID 159048274

About sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide

sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide (PubChem CID 159048274) has the molecular formula C111H144Br2Cl4N23NaO6 and a molecular weight of 2221.14 g/mol. Its IUPAC name is sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide.

Molecular Properties

• Compound Name: sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide
• PubChem CID: 159048274
• Molecular Formula: C111H144Br2Cl4N23NaO6
• Molecular Weight: 2221.14 g/mol
• Exact Mass: 2215.87
• IUPAC Name: sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide
• SMILES: Brc1cnc2nc(N3CCCCC3)n(Cc3ccccc3)c2c1.C.C.C.C1CCNCC1.C=CC(=O)N(C)c1cnc2nc(N3CCCCC3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(N3CCCCC3)n(Cc3ccccc3)c2c1.CN.CN(C(=O)CCCl)c1cnc2nc(N3CCCCC3)n(Cc3ccccc3)c2c1.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.O=C(Cl)CCCl.OC1CCCO1.[Na+].[OH-]
• InChI: InChI=1S/C22H26ClN5O.C22H25N5O.C20H24N4.C18H19BrN4.C13H9BrClN3.C5H11N.C4H8O2.C3H4Cl2O.CH5N.3CH4.Na.H2O/c1-26(20(29)10-11-23)18-14-19-21(24-15-18)25-22(27-12-6-3-7-13-27)28(19)16-17-8-4-2-5-9-17;1-3-20(28)25(2)18-14-19-21(23-15-18)24-22(26-12-8-5-9-13-26)27(19)16-17-10-6-4-7-11-17;1-2-16-13-18-19(21-14-16)22-20(23-11-7-4-8-12-23)24(18)15-17-9-5-3-6-10-17;19-15-11-16-17(20-12-15)21-18(22-9-5-2-6-10-22)23(16)13-14-7-3-1-4-8-14;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-2-4-6-5-3-1;5-4-2-1-3-6-4;4-2-1-3(5)6;1-2;;;;;/h2,4-5,8-9,14-15H,3,6-7,10-13,16H2,1H3;3-4,6-7,10-11,14-15H,1,5,8-9,12-13,16H2,2H3;3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3;1,3-4,7-8,11-12H,2,5-6,9-10,13H2;1-7H,8H2;6H,1-5H2;4-5H,1-3H2;1-2H2;2H2,1H3;3*1H4;;1H2/q;;;;;;;;;;;;+1;/p-1
• InChIKey: JWXUZEUZSGAMDX-UHFFFAOYSA-M
• XLogP: 20.41
• TPSA: 321.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2221.14
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide?

The IUPAC name of sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide (CID 159048274) is sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide.

What is the SMILES notation for sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide?

The canonical SMILES for sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide is Brc1cnc2nc(N3CCCCC3)n(Cc3ccccc3)c2c1.C.C.C.C1CCNCC1.C=CC(=O)N(C)c1cnc2nc(N3CCCCC3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(N3CCCCC3)n(Cc3ccccc3)c2c1.CN.CN(C(=O)CCCl)c1cnc2nc(N3CCCCC3)n(Cc3ccccc3)c2c1.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.O=C(Cl)CCCl.OC1CCCO1.[Na+].[OH-].

What is the InChIKey of sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide?

The InChIKey is JWXUZEUZSGAMDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H26ClN5O.C22H25N5O.C20H24N4.C18H19BrN4.C13H9BrClN3.C5H11N.C4H8O2.C3H4Cl2O.CH5N.3CH4.Na.H2O/c1-26(20(29)10-11-23)18-14-19-21(24-15-18)25-22(27-12-6-3-7-13-27)28(19)16-17-8-4-2-5-9-17;1-3-20(28)25(2)18-14-19-21(23-15-18)24-22(26-12-8-5-9-13-26)27(19)16-17-10-6-4-7-11-17;1-2-16-13-18-19(21-14-16)22-20(23-11-7-4-8-12-23)24(18)15-17-9-5-3-6-10-17;19-15-11-16-17(20-12-15)21-18(22-9-5-2-6-10-22)23(16)13-14-7-3-1-4-8-14;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-2-4-6-5-3-1;5-4-2-1-3-6-4;4-2-1-3(5)6;1-2;;;;;/h2,4-5,8-9,14-15H,3,6-7,10-13,16H2,1H3;3-4,6-7,10-11,14-15H,1,5,8-9,12-13,16H2,2H3;3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3;1,3-4,7-8,11-12H,2,5-6,9-10,13H2;1-7H,8H2;6H,1-5H2;4-5H,1-3H2;1-2H2;2H2,1H3;3*1H4;;1H2/q;;;;;;;;;;;;+1;/p-1.

What are the key properties of sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide?

sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide has a molecular weight of 2221.14 g/mol, XLogP of 20.41, 22 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-piperidin-1-ylimidazo[4,5-b]pyridine;1-benzyl-6-ethyl-2-piperidin-1-ylimidazo[4,5-b]pyridine;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide;N-(1-benzyl-2-piperidin-1-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;piperidine;hydroxide is sourced from PubChem (CID 159048274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).