sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide

C99H114Br2Cl4N23NaO9 — CID 159878757

About sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide

sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide (PubChem CID 159878757) has the molecular formula C99H114Br2Cl4N23NaO9 and a molecular weight of 2094.76 g/mol. Its IUPAC name is sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide.

Molecular Properties

• Compound Name: sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide
• PubChem CID: 159878757
• Molecular Formula: C99H114Br2Cl4N23NaO9
• Molecular Weight: 2094.76 g/mol
• Exact Mass: 2089.62
• IUPAC Name: sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide
• SMILES: C=CC(=O)N(C)c1cnc2nc(N3CC[C@H](O)C3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(N3CC[C@H](O)C3)n(Cc3ccccc3)c2c1.CN.CN(C(=O)CCCl)c1cnc2nc(N3CC[C@H](O)C3)n(Cc3ccccc3)c2c1.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.O=C(Cl)CCCl.O[C@H]1CCN(c2nc3ncc(Br)cc3n2Cc2ccccc2)C1.O[C@H]1CCNC1.[Na+].[OH-]
• InChI: InChI=1S/C21H24ClN5O2.C21H23N5O2.C19H22N4O.C17H17BrN4O.C13H9BrClN3.C4H9NO.C3H4Cl2O.CH5N.Na.H2O/c1-25(19(29)7-9-22)16-11-18-20(23-12-16)24-21(26-10-8-17(28)14-26)27(18)13-15-5-3-2-4-6-15;1-3-19(28)24(2)16-11-18-20(22-12-16)23-21(25-10-9-17(27)14-25)26(18)13-15-7-5-4-6-8-15;1-2-14-10-17-18(20-11-14)21-19(22-9-8-16(24)13-22)23(17)12-15-6-4-3-5-7-15;18-13-8-15-16(19-9-13)20-17(21-7-6-14(23)11-21)22(15)10-12-4-2-1-3-5-12;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;6-4-1-2-5-3-4;4-2-1-3(5)6;1-2;;/h2-6,11-12,17,28H,7-10,13-14H2,1H3;3-8,11-12,17,27H,1,9-10,13-14H2,2H3;3-7,10-11,16,24H,2,8-9,12-13H2,1H3;1-5,8-9,14,23H,6-7,10-11H2;1-7H,8H2;4-6H,1-3H2;1-2H2;2H2,1H3;;1H2/q;;;;;;;;+1;/p-1/t2*17-;16-;14-;;4-;;;;/m0000.0..../s1
• InChIKey: NTGHKSNKOMLKTJ-GFUOLWHASA-M
• XLogP: 11.29
• TPSA: 393.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2094.76
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

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;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide?

The IUPAC name of sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide (CID 159878757) is sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide.

What is the SMILES notation for sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide?

The canonical SMILES for sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide is C=CC(=O)N(C)c1cnc2nc(N3CC[C@H](O)C3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(N3CC[C@H](O)C3)n(Cc3ccccc3)c2c1.CN.CN(C(=O)CCCl)c1cnc2nc(N3CC[C@H](O)C3)n(Cc3ccccc3)c2c1.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.O=C(Cl)CCCl.O[C@H]1CCN(c2nc3ncc(Br)cc3n2Cc2ccccc2)C1.O[C@H]1CCNC1.[Na+].[OH-].

What is the InChIKey of sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide?

The InChIKey is NTGHKSNKOMLKTJ-GFUOLWHASA-M. The full InChI is InChI=1S/C21H24ClN5O2.C21H23N5O2.C19H22N4O.C17H17BrN4O.C13H9BrClN3.C4H9NO.C3H4Cl2O.CH5N.Na.H2O/c1-25(19(29)7-9-22)16-11-18-20(23-12-16)24-21(26-10-8-17(28)14-26)27(18)13-15-5-3-2-4-6-15;1-3-19(28)24(2)16-11-18-20(22-12-16)23-21(25-10-9-17(27)14-25)26(18)13-15-7-5-4-6-8-15;1-2-14-10-17-18(20-11-14)21-19(22-9-8-16(24)13-22)23(17)12-15-6-4-3-5-7-15;18-13-8-15-16(19-9-13)20-17(21-7-6-14(23)11-21)22(15)10-12-4-2-1-3-5-12;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;6-4-1-2-5-3-4;4-2-1-3(5)6;1-2;;/h2-6,11-12,17,28H,7-10,13-14H2,1H3;3-8,11-12,17,27H,1,9-10,13-14H2,2H3;3-7,10-11,16,24H,2,8-9,12-13H2,1H3;1-5,8-9,14,23H,6-7,10-11H2;1-7H,8H2;4-6H,1-3H2;1-2H2;2H2,1H3;;1H2/q;;;;;;;;+1;/p-1/t2*17-;16-;14-;;4-;;;;/m0000.0..../s1.

What are the key properties of sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide?

sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide has a molecular weight of 2094.76 g/mol, XLogP of 11.29, 22 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;(3S)-pyrrolidin-3-ol;hydroxide is sourced from PubChem (CID 159878757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).