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

C110H150Br2Cl4N23NaO11 — CID 158738337

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

sodium;azetidin-3-ylmethanol;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;[1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide (PubChem CID 158738337) has the molecular formula C110H150Br2Cl4N23NaO11 and a molecular weight of 2295.17 g/mol. Its IUPAC name is sodium;azetidin-3-ylmethanol;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;[1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide.

Molecular Properties

• Compound Name: sodium;azetidin-3-ylmethanol;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;[1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide
• PubChem CID: 158738337
• Molecular Formula: C110H150Br2Cl4N23NaO11
• Molecular Weight: 2295.17 g/mol
• Exact Mass: 2289.89
• IUPAC Name: sodium;azetidin-3-ylmethanol;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;[1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide
• SMILES: C.C.C.C.C.C.C.C=CC(=O)N(C)c1cnc2nc(N3CC(CO)C3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(N3CC(CO)C3)n(Cc3ccccc3)c2c1.CN.CN(C(=O)CCCl)c1cnc2nc(N3CC(CO)C3)n(Cc3ccccc3)c2c1.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.O=C(Cl)CCCl.OC1CCCO1.OCC1CN(c2nc3ncc(Br)cc3n2Cc2ccccc2)C1.OCC1CNC1.[Na+].[OH-]
• InChI: InChI=1S/C21H24ClN5O2.C21H23N5O2.C19H22N4O.C17H17BrN4O.C13H9BrClN3.C4H9NO.C4H8O2.C3H4Cl2O.CH5N.7CH4.Na.H2O/c1-25(19(29)7-8-22)17-9-18-20(23-10-17)24-21(26-11-16(12-26)14-28)27(18)13-15-5-3-2-4-6-15;1-3-19(28)24(2)17-9-18-20(22-10-17)23-21(25-11-16(12-25)14-27)26(18)13-15-7-5-4-6-8-15;1-2-14-8-17-18(20-9-14)21-19(22-10-16(11-22)13-24)23(17)12-15-6-4-3-5-7-15;18-14-6-15-16(19-7-14)20-17(21-8-13(9-21)11-23)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;6-3-4-1-5-2-4;5-4-2-1-3-6-4;4-2-1-3(5)6;1-2;;;;;;;;;/h2-6,9-10,16,28H,7-8,11-14H2,1H3;3-10,16,27H,1,11-14H2,2H3;3-9,16,24H,2,10-13H2,1H3;1-7,13,23H,8-11H2;1-7H,8H2;4-6H,1-3H2;4-5H,1-3H2;1-2H2;2H2,1H3;7*1H4;;1H2/q;;;;;;;;;;;;;;;;+1;/p-1
• InChIKey: ILYWACVMTBYHFX-UHFFFAOYSA-M
• XLogP: 15.14
• TPSA: 422.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.17
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

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;azetidin-3-ylmethanol;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;[1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide?

The IUPAC name of sodium;azetidin-3-ylmethanol;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;[1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide (CID 158738337) is sodium;azetidin-3-ylmethanol;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;[1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide.

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

The canonical SMILES for sodium;azetidin-3-ylmethanol;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;[1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide is C.C.C.C.C.C.C.C=CC(=O)N(C)c1cnc2nc(N3CC(CO)C3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(N3CC(CO)C3)n(Cc3ccccc3)c2c1.CN.CN(C(=O)CCCl)c1cnc2nc(N3CC(CO)C3)n(Cc3ccccc3)c2c1.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.O=C(Cl)CCCl.OC1CCCO1.OCC1CN(c2nc3ncc(Br)cc3n2Cc2ccccc2)C1.OCC1CNC1.[Na+].[OH-].

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

The InChIKey is ILYWACVMTBYHFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H24ClN5O2.C21H23N5O2.C19H22N4O.C17H17BrN4O.C13H9BrClN3.C4H9NO.C4H8O2.C3H4Cl2O.CH5N.7CH4.Na.H2O/c1-25(19(29)7-8-22)17-9-18-20(23-10-17)24-21(26-11-16(12-26)14-28)27(18)13-15-5-3-2-4-6-15;1-3-19(28)24(2)17-9-18-20(22-10-17)23-21(25-11-16(12-25)14-27)26(18)13-15-7-5-4-6-8-15;1-2-14-8-17-18(20-9-14)21-19(22-10-16(11-22)13-24)23(17)12-15-6-4-3-5-7-15;18-14-6-15-16(19-7-14)20-17(21-8-13(9-21)11-23)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;6-3-4-1-5-2-4;5-4-2-1-3-6-4;4-2-1-3(5)6;1-2;;;;;;;;;/h2-6,9-10,16,28H,7-8,11-14H2,1H3;3-10,16,27H,1,11-14H2,2H3;3-9,16,24H,2,10-13H2,1H3;1-7,13,23H,8-11H2;1-7H,8H2;4-6H,1-3H2;4-5H,1-3H2;1-2H2;2H2,1H3;7*1H4;;1H2/q;;;;;;;;;;;;;;;;+1;/p-1.

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

sodium;azetidin-3-ylmethanol;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;[1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide has a molecular weight of 2295.17 g/mol, XLogP of 15.14, 27 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;azetidin-3-ylmethanol;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;[1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;[1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanol;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[1-benzyl-2-[3-(hydroxymethyl)azetidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide is sourced from PubChem (CID 158738337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).