lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid

C66H84BrLiN10O17 — CID 158535458

About lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid

lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 158535458) has the molecular formula C66H84BrLiN10O17 and a molecular weight of 1376.30 g/mol. Its IUPAC name is lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid
• PubChem CID: 158535458
• Molecular Formula: C66H84BrLiN10O17
• Molecular Weight: 1376.30 g/mol
• Exact Mass: 1374.54
• IUPAC Name: lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid
• SMILES: C=CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCc1ccc2ncc(C(=O)O)n2c1.CCOC(=O)c1cnc2ccc(/C=C/C(=O)OC(C)(C)C)cn12.CCOC(=O)c1cnc2ccc(Br)cn12.CCOC(=O)c1cnc2ccc(CCC(=O)OC(C)(C)C)cn12.N[N-]O.[Li+]
• InChI: InChI=1S/C17H22N2O4.C17H20N2O4.C15H18N2O4.C10H9BrN2O2.C7H12O2.Li.H3N2O/c2*1-5-22-16(21)13-10-18-14-8-6-12(11-19(13)14)7-9-15(20)23-17(2,3)4;1-15(2,3)21-13(18)7-5-10-4-6-12-16-8-11(14(19)20)17(12)9-10;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;1-5-6(8)9-7(2,3)4;;1-2-3/h6,8,10-11H,5,7,9H2,1-4H3;6-11H,5H2,1-4H3;4,6,8-9H,5,7H2,1-3H3,(H,19,20);3-6H,2H2,1H3;5H,1H2,2-4H3;;3H,1H2/q;;;;;+1;-1/b;9-7+
• InChIKey: HNWRPQMXRFRGKK-CIHBSRHPSA-N
• XLogP: 8.37
• TPSA: 350.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1376.30
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid?

The IUPAC name of lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 158535458) is lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

What is the SMILES notation for lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid?

The canonical SMILES for lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid is C=CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCc1ccc2ncc(C(=O)O)n2c1.CCOC(=O)c1cnc2ccc(/C=C/C(=O)OC(C)(C)C)cn12.CCOC(=O)c1cnc2ccc(Br)cn12.CCOC(=O)c1cnc2ccc(CCC(=O)OC(C)(C)C)cn12.N[N-]O.[Li+].

What is the InChIKey of lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid?

The InChIKey is HNWRPQMXRFRGKK-CIHBSRHPSA-N. The full InChI is InChI=1S/C17H22N2O4.C17H20N2O4.C15H18N2O4.C10H9BrN2O2.C7H12O2.Li.H3N2O/c2*1-5-22-16(21)13-10-18-14-8-6-12(11-19(13)14)7-9-15(20)23-17(2,3)4;1-15(2,3)21-13(18)7-5-10-4-6-12-16-8-11(14(19)20)17(12)9-10;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;1-5-6(8)9-7(2,3)4;;1-2-3/h6,8,10-11H,5,7,9H2,1-4H3;6-11H,5H2,1-4H3;4,6,8-9H,5,7H2,1-3H3,(H,19,20);3-6H,2H2,1H3;5H,1H2,2-4H3;;3H,1H2/q;;;;;+1;-1/b;9-7+;;;;;.

What are the key properties of lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid?

lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 1376.30 g/mol, XLogP of 8.37, 16 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;amino(hydroxy)azanide;tert-butyl prop-2-enoate;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylate;6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 158535458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).