ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid

C132H127BBrN23O18 — CID 157434020

About ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid

ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid (PubChem CID 157434020) has the molecular formula C132H127BBrN23O18 and a molecular weight of 2414.33 g/mol. Its IUPAC name is ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid.

Molecular Properties

• Compound Name: ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid
• PubChem CID: 157434020
• Molecular Formula: C132H127BBrN23O18
• Molecular Weight: 2414.33 g/mol
• Exact Mass: 2411.90
• IUPAC Name: ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid
• SMILES: C=CC(=O)c1ncccc1C.CCOC(=O)C(CCC(=O)c1ncccc1C)C(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)CC(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)c1nc2ccccn2c1Br.CCOC(C)=O.Cc1cccnc1C(=O)CCCC(=O)c1nc2ccccn2c1-c1ccncc1.Cc1cccnc1[C@H]1CCC[C@@H](c2nc3ccccn3c2-c2ccncc2)N1.OB(O)c1ccncc1
• InChI: InChI=1S/C26H24N4O4.C23H23N5.C23H20N4O2.C17H15N3O3.C15H13N3O2.C10H9BrN2O2.C9H9NO.C5H6BNO2.C4H8O2/c1-3-34-26(33)19(9-10-20(31)22-17(2)7-6-13-28-22)25(32)23-24(18-11-14-27-15-12-18)30-16-5-4-8-21(30)29-23;1-16-6-5-12-25-21(16)18-7-4-8-19(26-18)22-23(17-10-13-24-14-11-17)28-15-3-2-9-20(28)27-22;1-16-6-5-12-25-21(16)18(28)7-4-8-19(29)22-23(17-10-13-24-14-11-17)27-15-3-2-9-20(27)26-22;1-2-23-15(22)11-13(21)16-17(12-6-8-18-9-7-12)20-10-4-3-5-14(20)19-16;1-2-20-15(19)13-14(11-6-8-16-9-7-11)18-10-4-3-5-12(18)17-13;1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8;1-3-8(11)9-7(2)5-4-6-10-9;8-6(9)5-1-3-7-4-2-5;1-3-6-4(2)5/h4-8,11-16,19H,3,9-10H2,1-2H3;2-3,5-6,9-15,18-19,26H,4,7-8H2,1H3;2-3,5-6,9-15H,4,7-8H2,1H3;3-10H,2,11H2,1H3;3-10H,2H2,1H3;3-6H,2H2,1H3;3-6H,1H2,2H3;1-4,8-9H;3H2,1-2H3/t;18-,19+;;;;;;;/m.1......./s1
• InChIKey: BQWMMDIXNARTRN-CUSWIZCDSA-N
• XLogP: 21.58
• TPSA: 519.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 41
• Rotatable Bonds: 33
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2414.33
LogP ≤ 5	21.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid?

The IUPAC name of ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid (CID 157434020) is ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid.

What is the SMILES notation for ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid?

The canonical SMILES for ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid is C=CC(=O)c1ncccc1C.CCOC(=O)C(CCC(=O)c1ncccc1C)C(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)CC(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)c1nc2ccccn2c1-c1ccncc1.CCOC(=O)c1nc2ccccn2c1Br.CCOC(C)=O.Cc1cccnc1C(=O)CCCC(=O)c1nc2ccccn2c1-c1ccncc1.Cc1cccnc1[C@H]1CCC[C@@H](c2nc3ccccn3c2-c2ccncc2)N1.OB(O)c1ccncc1.

What is the InChIKey of ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid?

The InChIKey is BQWMMDIXNARTRN-CUSWIZCDSA-N. The full InChI is InChI=1S/C26H24N4O4.C23H23N5.C23H20N4O2.C17H15N3O3.C15H13N3O2.C10H9BrN2O2.C9H9NO.C5H6BNO2.C4H8O2/c1-3-34-26(33)19(9-10-20(31)22-17(2)7-6-13-28-22)25(32)23-24(18-11-14-27-15-12-18)30-16-5-4-8-21(30)29-23;1-16-6-5-12-25-21(16)18-7-4-8-19(26-18)22-23(17-10-13-24-14-11-17)28-15-3-2-9-20(28)27-22;1-16-6-5-12-25-21(16)18(28)7-4-8-19(29)22-23(17-10-13-24-14-11-17)27-15-3-2-9-20(27)26-22;1-2-23-15(22)11-13(21)16-17(12-6-8-18-9-7-12)20-10-4-3-5-14(20)19-16;1-2-20-15(19)13-14(11-6-8-16-9-7-11)18-10-4-3-5-12(18)17-13;1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8;1-3-8(11)9-7(2)5-4-6-10-9;8-6(9)5-1-3-7-4-2-5;1-3-6-4(2)5/h4-8,11-16,19H,3,9-10H2,1-2H3;2-3,5-6,9-15,18-19,26H,4,7-8H2,1H3;2-3,5-6,9-15H,4,7-8H2,1H3;3-10H,2,11H2,1H3;3-10H,2H2,1H3;3-6H,2H2,1H3;3-6H,1H2,2H3;1-4,8-9H;3H2,1-2H3/t;18-,19+;;;;;;;/m.1......./s1.

What are the key properties of ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid?

ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid has a molecular weight of 2414.33 g/mol, XLogP of 21.58, 33 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl acetate;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-(3-methyl-2-pyridinyl)-5-oxo-2-(3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)pentanoate;ethyl 3-oxo-3-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxylate;2-[(2S,6R)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-4-ylimidazo[1,2-a]pyridine;1-(3-methyl-2-pyridinyl)prop-2-en-1-one;1-(3-methyl-2-pyridinyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)pentane-1,5-dione;pyridin-4-ylboronic acid is sourced from PubChem (CID 157434020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).