diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid

C84H95IN16O22 — CID 159308897

About diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid

diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 159308897) has the molecular formula C84H95IN16O22 and a molecular weight of 1807.68 g/mol. Its IUPAC name is diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid
• PubChem CID: 159308897
• Molecular Formula: C84H95IN16O22
• Molecular Weight: 1807.68 g/mol
• Exact Mass: 1806.59
• IUPAC Name: diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid
• SMILES: CC(C)C[C@@H](CO)NC(=O)c1cccn2c(C(=O)O)cnc12.CCOC(=O)c1cccn2c(C(=O)OCC)cnc12.CCOC(=O)c1cccn2c(I)cnc12.CCOC(=O)c1cccn2ccnc12.CCOC(=O)c1cccnc1N.CCOC(=O)c1cnc2c(C(=O)N[C@H](CO)CC(C)C)cccn12.CCOC(=O)c1cnc2c(C(=O)O)cccn12
• InChI: InChI=1S/C17H23N3O4.C15H19N3O4.C13H14N2O4.C11H10N2O4.C10H9IN2O2.C10H10N2O2.C8H10N2O2/c1-4-24-17(23)14-9-18-15-13(6-5-7-20(14)15)16(22)19-12(10-21)8-11(2)3;1-9(2)6-10(8-19)17-14(20)11-4-3-5-18-12(15(21)22)7-16-13(11)18;1-3-18-12(16)9-6-5-7-15-10(8-14-11(9)15)13(17)19-4-2;1-2-17-11(16)8-6-12-9-7(10(14)15)4-3-5-13(8)9;1-2-15-10(14)7-4-3-5-13-8(11)6-12-9(7)13;1-2-14-10(13)8-4-3-6-12-7-5-11-9(8)12;1-2-12-8(11)6-4-3-5-10-7(6)9/h5-7,9,11-12,21H,4,8,10H2,1-3H3,(H,19,22);3-5,7,9-10,19H,6,8H2,1-2H3,(H,17,20)(H,21,22);5-8H,3-4H2,1-2H3;3-6H,2H2,1H3,(H,14,15);3-6H,2H2,1H3;3-7H,2H2,1H3;3-5H,2H2,1H3,(H2,9,10)/t12-;10-;;;;;/m00...../s1
• InChIKey: LCGYPBFYIKNZOP-BTHCIWJPSA-N
• XLogP: 10.18
• TPSA: 500.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1807.68
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid?

The IUPAC name of diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 159308897) is diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

What is the SMILES notation for diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid?

The canonical SMILES for diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid is CC(C)C[C@@H](CO)NC(=O)c1cccn2c(C(=O)O)cnc12.CCOC(=O)c1cccn2c(C(=O)OCC)cnc12.CCOC(=O)c1cccn2c(I)cnc12.CCOC(=O)c1cccn2ccnc12.CCOC(=O)c1cccnc1N.CCOC(=O)c1cnc2c(C(=O)N[C@H](CO)CC(C)C)cccn12.CCOC(=O)c1cnc2c(C(=O)O)cccn12.

What is the InChIKey of diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid?

The InChIKey is LCGYPBFYIKNZOP-BTHCIWJPSA-N. The full InChI is InChI=1S/C17H23N3O4.C15H19N3O4.C13H14N2O4.C11H10N2O4.C10H9IN2O2.C10H10N2O2.C8H10N2O2/c1-4-24-17(23)14-9-18-15-13(6-5-7-20(14)15)16(22)19-12(10-21)8-11(2)3;1-9(2)6-10(8-19)17-14(20)11-4-3-5-18-12(15(21)22)7-16-13(11)18;1-3-18-12(16)9-6-5-7-15-10(8-14-11(9)15)13(17)19-4-2;1-2-17-11(16)8-6-12-9-7(10(14)15)4-3-5-13(8)9;1-2-15-10(14)7-4-3-5-13-8(11)6-12-9(7)13;1-2-14-10(13)8-4-3-6-12-7-5-11-9(8)12;1-2-12-8(11)6-4-3-5-10-7(6)9/h5-7,9,11-12,21H,4,8,10H2,1-3H3,(H,19,22);3-5,7,9-10,19H,6,8H2,1-2H3,(H,17,20)(H,21,22);5-8H,3-4H2,1-2H3;3-6H,2H2,1H3,(H,14,15);3-6H,2H2,1H3;3-7H,2H2,1H3;3-5H,2H2,1H3,(H2,9,10)/t12-;10-;;;;;/m00...../s1.

What are the key properties of diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid?

diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 1807.68 g/mol, XLogP of 10.18, 26 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl imidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate;ethyl 8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;8-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 159308897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).