sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide

C112H126F3N16NaO16 — CID 158220311

About sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide

sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide (PubChem CID 158220311) has the molecular formula C112H126F3N16NaO16 and a molecular weight of 2032.32 g/mol. Its IUPAC name is sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide.

Molecular Properties

• Compound Name: sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide
• PubChem CID: 158220311
• Molecular Formula: C112H126F3N16NaO16
• Molecular Weight: 2032.32 g/mol
• Exact Mass: 2030.94
• IUPAC Name: sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide
• SMILES: C.C.CC(C)(C)OC(=O)NCc1cccc(-c2cc(C(=O)O)cn3ccnc23)c1.CCOC(=O)Cc1ccccc1N.CCOC(=O)Cc1ccccc1NCc1cc(-c2cccc(CN)c2)c2nccn2c1.CCOC(=O)Cc1ccccc1NCc1cc(-c2cccc(CNC(=O)OC(C)(C)C)c2)c2nccn2c1.NCc1cccc(-c2cc(CNc3ccccc3CC(=O)O)cn3ccnc23)c1.O=CC(F)(F)F.[Na+].[OH-]
• InChI: InChI=1S/C30H34N4O4.C25H26N4O2.C23H22N4O2.C20H21N3O4.C10H13NO2.C2HF3O.2CH4.Na.H2O/c1-5-37-27(35)17-24-10-6-7-12-26(24)32-19-22-16-25(28-31-13-14-34(28)20-22)23-11-8-9-21(15-23)18-33-29(36)38-30(2,3)4;1-2-31-24(30)14-21-7-3-4-9-23(21)28-16-19-13-22(25-27-10-11-29(25)17-19)20-8-5-6-18(12-20)15-26;24-13-16-4-3-6-18(10-16)20-11-17(15-27-9-8-25-23(20)27)14-26-21-7-2-1-5-19(21)12-22(28)29;1-20(2,3)27-19(26)22-11-13-5-4-6-14(9-13)16-10-15(18(24)25)12-23-8-7-21-17(16)23;1-2-13-10(12)7-8-5-3-4-6-9(8)11;3-2(4,5)1-6;;;;/h6-16,20,32H,5,17-19H2,1-4H3,(H,33,36);3-13,17,28H,2,14-16,26H2,1H3;1-11,15,26H,12-14,24H2,(H,28,29);4-10,12H,11H2,1-3H3,(H,22,26)(H,24,25);3-6H,2,7,11H2,1H3;1H;2*1H4;;1H2/q;;;;;;;;+1;/p-1
• InChIKey: GDDVYXKZLMQHBN-UHFFFAOYSA-M
• XLogP: 17.57
• TPSA: 460.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2032.32
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide?

The IUPAC name of sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide (CID 158220311) is sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide.

What is the SMILES notation for sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide?

The canonical SMILES for sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide is C.C.CC(C)(C)OC(=O)NCc1cccc(-c2cc(C(=O)O)cn3ccnc23)c1.CCOC(=O)Cc1ccccc1N.CCOC(=O)Cc1ccccc1NCc1cc(-c2cccc(CN)c2)c2nccn2c1.CCOC(=O)Cc1ccccc1NCc1cc(-c2cccc(CNC(=O)OC(C)(C)C)c2)c2nccn2c1.NCc1cccc(-c2cc(CNc3ccccc3CC(=O)O)cn3ccnc23)c1.O=CC(F)(F)F.[Na+].[OH-].

What is the InChIKey of sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide?

The InChIKey is GDDVYXKZLMQHBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H34N4O4.C25H26N4O2.C23H22N4O2.C20H21N3O4.C10H13NO2.C2HF3O.2CH4.Na.H2O/c1-5-37-27(35)17-24-10-6-7-12-26(24)32-19-22-16-25(28-31-13-14-34(28)20-22)23-11-8-9-21(15-23)18-33-29(36)38-30(2,3)4;1-2-31-24(30)14-21-7-3-4-9-23(21)28-16-19-13-22(25-27-10-11-29(25)17-19)20-8-5-6-18(12-20)15-26;24-13-16-4-3-6-18(10-16)20-11-17(15-27-9-8-25-23(20)27)14-26-21-7-2-1-5-19(21)12-22(28)29;1-20(2,3)27-19(26)22-11-13-5-4-6-14(9-13)16-10-15(18(24)25)12-23-8-7-21-17(16)23;1-2-13-10(12)7-8-5-3-4-6-9(8)11;3-2(4,5)1-6;;;;/h6-16,20,32H,5,17-19H2,1-4H3,(H,33,36);3-13,17,28H,2,14-16,26H2,1H3;1-11,15,26H,12-14,24H2,(H,28,29);4-10,12H,11H2,1-3H3,(H,22,26)(H,24,25);3-6H,2,7,11H2,1H3;1H;2*1H4;;1H2/q;;;;;;;;+1;/p-1.

What are the key properties of sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide?

sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide has a molecular weight of 2032.32 g/mol, XLogP of 17.57, 31 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide is sourced from PubChem (CID 158220311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).