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

C109H129Br2Cl4N28NaO9 — CID 159453937

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

sodium;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;N-[(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;N-[(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;3-chloropropanoyl chloride;methanamine;N-[(3S)-pyrrolidin-3-yl]acetamide;hydroxide (PubChem CID 159453937) has the molecular formula C109H129Br2Cl4N28NaO9 and a molecular weight of 2300.03 g/mol. Its IUPAC name is sodium;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;N-[(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;N-[(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;3-chloropropanoyl chloride;methanamine;N-[(3S)-pyrrolidin-3-yl]acetamide;hydroxide.

Molecular Properties

• Compound Name: sodium;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;N-[(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;N-[(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;3-chloropropanoyl chloride;methanamine;N-[(3S)-pyrrolidin-3-yl]acetamide;hydroxide
• PubChem CID: 159453937
• Molecular Formula: C109H129Br2Cl4N28NaO9
• Molecular Weight: 2300.03 g/mol
• Exact Mass: 2294.75
• IUPAC Name: sodium;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;N-[(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;N-[(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;3-chloropropanoyl chloride;methanamine;N-[(3S)-pyrrolidin-3-yl]acetamide;hydroxide
• SMILES: C=CC(=O)N(C)c1cnc2nc(N3CC[C@H](NC(C)=O)C3)n(Cc3ccccc3)c2c1.CC(=O)N[C@H]1CCN(c2nc3ncc(Br)cc3n2Cc2ccccc2)C1.CC(=O)N[C@H]1CCN(c2nc3ncc(N(C)C(=O)CCCl)cc3n2Cc2ccccc2)C1.CC(=O)N[C@H]1CCNC1.CCc1cnc2nc(N3CC[C@H](NC(C)=O)C3)n(Cc3ccccc3)c2c1.CN.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.O=C(Cl)CCCl.[Na+].[OH-]
• InChI: InChI=1S/C23H27ClN6O2.C23H26N6O2.C21H25N5O.C19H20BrN5O.C13H9BrClN3.C6H12N2O.C3H4Cl2O.CH5N.Na.H2O/c1-16(31)26-18-9-11-29(15-18)23-27-22-20(30(23)14-17-6-4-3-5-7-17)12-19(13-25-22)28(2)21(32)8-10-24;1-4-21(31)27(3)19-12-20-22(24-13-19)26-23(28-11-10-18(15-28)25-16(2)30)29(20)14-17-8-6-5-7-9-17;1-3-16-11-19-20(22-12-16)24-21(25-10-9-18(14-25)23-15(2)27)26(19)13-17-7-5-4-6-8-17;1-13(26)22-16-7-8-24(12-16)19-23-18-17(9-15(20)10-21-18)25(19)11-14-5-3-2-4-6-14;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-5(9)8-6-2-3-7-4-6;4-2-1-3(5)6;1-2;;/h3-7,12-13,18H,8-11,14-15H2,1-2H3,(H,26,31);4-9,12-13,18H,1,10-11,14-15H2,2-3H3,(H,25,30);4-8,11-12,18H,3,9-10,13-14H2,1-2H3,(H,23,27);2-6,9-10,16H,7-8,11-12H2,1H3,(H,22,26);1-7H,8H2;6-7H,2-4H2,1H3,(H,8,9);1-2H2;2H2,1H3;;1H2/q;;;;;;;;+1;/p-1/t3*18-;16-;;6-;;;;/m0000.0..../s1
• InChIKey: LTSNUTIVCBWZJU-MKKRFCAYSA-M
• XLogP: 12.01
• TPSA: 437.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2300.03
LogP ≤ 5	12.01
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;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;N-[(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;N-[(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;3-chloropropanoyl chloride;methanamine;N-[(3S)-pyrrolidin-3-yl]acetamide;hydroxide?

The IUPAC name of sodium;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;N-[(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;N-[(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;3-chloropropanoyl chloride;methanamine;N-[(3S)-pyrrolidin-3-yl]acetamide;hydroxide (CID 159453937) is sodium;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;N-[(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;N-[(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;3-chloropropanoyl chloride;methanamine;N-[(3S)-pyrrolidin-3-yl]acetamide;hydroxide.

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

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

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

The InChIKey is LTSNUTIVCBWZJU-MKKRFCAYSA-M. The full InChI is InChI=1S/C23H27ClN6O2.C23H26N6O2.C21H25N5O.C19H20BrN5O.C13H9BrClN3.C6H12N2O.C3H4Cl2O.CH5N.Na.H2O/c1-16(31)26-18-9-11-29(15-18)23-27-22-20(30(23)14-17-6-4-3-5-7-17)12-19(13-25-22)28(2)21(32)8-10-24;1-4-21(31)27(3)19-12-20-22(24-13-19)26-23(28-11-10-18(15-28)25-16(2)30)29(20)14-17-8-6-5-7-9-17;1-3-16-11-19-20(22-12-16)24-21(25-10-9-18(14-25)23-15(2)27)26(19)13-17-7-5-4-6-8-17;1-13(26)22-16-7-8-24(12-16)19-23-18-17(9-15(20)10-21-18)25(19)11-14-5-3-2-4-6-14;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-5(9)8-6-2-3-7-4-6;4-2-1-3(5)6;1-2;;/h3-7,12-13,18H,8-11,14-15H2,1-2H3,(H,26,31);4-9,12-13,18H,1,10-11,14-15H2,2-3H3,(H,25,30);4-8,11-12,18H,3,9-10,13-14H2,1-2H3,(H,23,27);2-6,9-10,16H,7-8,11-12H2,1H3,(H,22,26);1-7H,8H2;6-7H,2-4H2,1H3,(H,8,9);1-2H2;2H2,1H3;;1H2/q;;;;;;;;+1;/p-1/t3*18-;16-;;6-;;;;/m0000.0..../s1.

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

sodium;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;N-[(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;N-[(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;3-chloropropanoyl chloride;methanamine;N-[(3S)-pyrrolidin-3-yl]acetamide;hydroxide has a molecular weight of 2300.03 g/mol, XLogP of 12.01, 27 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;N-[(3S)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;N-[(3S)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]acetamide;3-chloropropanoyl chloride;methanamine;N-[(3S)-pyrrolidin-3-yl]acetamide;hydroxide is sourced from PubChem (CID 159453937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).