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

C104H124Br2Cl4N23NaO9 — CID 161322785

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

sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;[(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;[(3R)-pyrrolidin-3-yl]methanol;hydroxide (PubChem CID 161322785) has the molecular formula C104H124Br2Cl4N23NaO9 and a molecular weight of 2164.90 g/mol. Its IUPAC name is sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;[(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;[(3R)-pyrrolidin-3-yl]methanol;hydroxide.

Molecular Properties

• Compound Name: sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;[(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;[(3R)-pyrrolidin-3-yl]methanol;hydroxide
• PubChem CID: 161322785
• Molecular Formula: C104H124Br2Cl4N23NaO9
• Molecular Weight: 2164.90 g/mol
• Exact Mass: 2159.70
• IUPAC Name: sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;[(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;[(3R)-pyrrolidin-3-yl]methanol;hydroxide
• SMILES: C=CC(=O)N(C)c1cnc2nc(N3CC[C@@H](CO)C3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(N3CC[C@@H](CO)C3)n(Cc3ccccc3)c2c1.CN.CN(C(=O)CCCl)c1cnc2nc(N3CC[C@@H](CO)C3)n(Cc3ccccc3)c2c1.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.O=C(Cl)CCCl.OC[C@@H]1CCN(c2nc3ncc(Br)cc3n2Cc2ccccc2)C1.OC[C@@H]1CCNC1.[Na+].[OH-]
• InChI: InChI=1S/C22H26ClN5O2.C22H25N5O2.C20H24N4O.C18H19BrN4O.C13H9BrClN3.C5H11NO.C3H4Cl2O.CH5N.Na.H2O/c1-26(20(30)7-9-23)18-11-19-21(24-12-18)25-22(27-10-8-17(13-27)15-29)28(19)14-16-5-3-2-4-6-16;1-3-20(29)25(2)18-11-19-21(23-12-18)24-22(26-10-9-17(13-26)15-28)27(19)14-16-7-5-4-6-8-16;1-2-15-10-18-19(21-11-15)22-20(23-9-8-17(12-23)14-25)24(18)13-16-6-4-3-5-7-16;19-15-8-16-17(20-9-15)21-18(22-7-6-14(10-22)12-24)23(16)11-13-4-2-1-3-5-13;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;7-4-5-1-2-6-3-5;4-2-1-3(5)6;1-2;;/h2-6,11-12,17,29H,7-10,13-15H2,1H3;3-8,11-12,17,28H,1,9-10,13-15H2,2H3;3-7,10-11,17,25H,2,8-9,12-14H2,1H3;1-5,8-9,14,24H,6-7,10-12H2;1-7H,8H2;5-7H,1-4H2;1-2H2;2H2,1H3;;1H2/q;;;;;;;;+1;/p-1/t3*17-;14-;;5-;;;;/m1111.1..../s1
• InChIKey: VKJDVNBVTKKDSP-UBURWUBPSA-M
• XLogP: 12.52
• TPSA: 393.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2164.90
LogP ≤ 5	12.52
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;[(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;[(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;[(3R)-pyrrolidin-3-yl]methanol;hydroxide?

The IUPAC name of sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;[(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;[(3R)-pyrrolidin-3-yl]methanol;hydroxide (CID 161322785) is sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;[(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;[(3R)-pyrrolidin-3-yl]methanol;hydroxide.

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

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

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

The InChIKey is VKJDVNBVTKKDSP-UBURWUBPSA-M. The full InChI is InChI=1S/C22H26ClN5O2.C22H25N5O2.C20H24N4O.C18H19BrN4O.C13H9BrClN3.C5H11NO.C3H4Cl2O.CH5N.Na.H2O/c1-26(20(30)7-9-23)18-11-19-21(24-12-18)25-22(27-10-8-17(13-27)15-29)28(19)14-16-5-3-2-4-6-16;1-3-20(29)25(2)18-11-19-21(23-12-18)24-22(26-10-9-17(13-26)15-28)27(19)14-16-7-5-4-6-8-16;1-2-15-10-18-19(21-11-15)22-20(23-9-8-17(12-23)14-25)24(18)13-16-6-4-3-5-7-16;19-15-8-16-17(20-9-15)21-18(22-7-6-14(10-22)12-24)23(16)11-13-4-2-1-3-5-13;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;7-4-5-1-2-6-3-5;4-2-1-3(5)6;1-2;;/h2-6,11-12,17,29H,7-10,13-15H2,1H3;3-8,11-12,17,28H,1,9-10,13-15H2,2H3;3-7,10-11,17,25H,2,8-9,12-14H2,1H3;1-5,8-9,14,24H,6-7,10-12H2;1-7H,8H2;5-7H,1-4H2;1-2H2;2H2,1H3;;1H2/q;;;;;;;;+1;/p-1/t3*17-;14-;;5-;;;;/m1111.1..../s1.

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

sodium;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;[(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;[(3R)-pyrrolidin-3-yl]methanol;hydroxide has a molecular weight of 2164.90 g/mol, XLogP of 12.52, 27 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;[(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;[(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanol;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;[(3R)-pyrrolidin-3-yl]methanol;hydroxide is sourced from PubChem (CID 161322785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).