[3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide

C123H110BN25O14 — CID 157182028

About [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide

[3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 157182028) has the molecular formula C123H110BN25O14 and a molecular weight of 2173.21 g/mol. Its IUPAC name is [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 157182028
• Molecular Formula: C123H110BN25O14
• Molecular Weight: 2173.21 g/mol
• Exact Mass: 2171.88
• IUPAC Name: [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCC(=O)c1cnc2ccc(C#Cc3cccc(C)n3)cn12.CCOC(=O)c1cnc2ccc(C#Cc3cccc(CO)n3)cn12.Cc1cccc(C#Cc2ccc3ncc(C(=O)COC4CCCCO4)n3c2)n1.Cc1cccc(C#Cc2ccc3ncc(C(=O)NCCN4CCOCC4)n3c2)n1.Cc1cccc(C#Cc2ccc3ncc(C(N)=O)n3c2)n1.Cc1cccc(C#Cc2ccc3ncc(C(N)=O)n3c2)n1.O=C(NC1CC1)c1cnc2ccc(B(O)O)cn12
• InChI: InChI=1S/C22H23N5O2.C22H21N3O3.C18H15N3O3.C18H15N3O.2C16H12N4O.C11H12BN3O3/c1-17-3-2-4-19(25-17)7-5-18-6-8-21-24-15-20(27(21)16-18)22(28)23-9-10-26-11-13-29-14-12-26;1-16-5-4-6-18(24-16)10-8-17-9-11-21-23-13-19(25(21)14-17)20(26)15-28-22-7-2-3-12-27-22;1-2-24-18(23)16-10-19-17-9-7-13(11-21(16)17)6-8-14-4-3-5-15(12-22)20-14;1-3-17(22)16-11-19-18-10-8-14(12-21(16)18)7-9-15-6-4-5-13(2)20-15;2*1-11-3-2-4-13(19-11)7-5-12-6-8-15-18-9-14(16(17)21)20(15)10-12;16-11(14-8-2-3-8)9-5-13-10-4-1-7(12(17)18)6-15(9)10/h2-4,6,8,15-16H,9-14H2,1H3,(H,23,28);4-6,9,11,13-14,22H,2-3,7,12,15H2,1H3;3-5,7,9-11,22H,2,12H2,1H3;4-6,8,10-12H,3H2,1-2H3;2*2-4,6,8-10H,1H3,(H2,17,21);1,4-6,8,17-18H,2-3H2,(H,14,16)
• InChIKey: AORGUCCPLHQSMM-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 494.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2173.21
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 157182028) is [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide is CCC(=O)c1cnc2ccc(C#Cc3cccc(C)n3)cn12.CCOC(=O)c1cnc2ccc(C#Cc3cccc(CO)n3)cn12.Cc1cccc(C#Cc2ccc3ncc(C(=O)COC4CCCCO4)n3c2)n1.Cc1cccc(C#Cc2ccc3ncc(C(=O)NCCN4CCOCC4)n3c2)n1.Cc1cccc(C#Cc2ccc3ncc(C(N)=O)n3c2)n1.Cc1cccc(C#Cc2ccc3ncc(C(N)=O)n3c2)n1.O=C(NC1CC1)c1cnc2ccc(B(O)O)cn12.

What is the InChIKey of [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is AORGUCCPLHQSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.C22H21N3O3.C18H15N3O3.C18H15N3O.2C16H12N4O.C11H12BN3O3/c1-17-3-2-4-19(25-17)7-5-18-6-8-21-24-15-20(27(21)16-18)22(28)23-9-10-26-11-13-29-14-12-26;1-16-5-4-6-18(24-16)10-8-17-9-11-21-23-13-19(25(21)14-17)20(26)15-28-22-7-2-3-12-27-22;1-2-24-18(23)16-10-19-17-9-7-13(11-21(16)17)6-8-14-4-3-5-15(12-22)20-14;1-3-17(22)16-11-19-18-10-8-14(12-21(16)18)7-9-15-6-4-5-13(2)20-15;2*1-11-3-2-4-13(19-11)7-5-12-6-8-15-18-9-14(16(17)21)20(15)10-12;16-11(14-8-2-3-8)9-5-13-10-4-1-7(12(17)18)6-15(9)10/h2-4,6,8,15-16H,9-14H2,1H3,(H,23,28);4-6,9,11,13-14,22H,2-3,7,12,15H2,1H3;3-5,7,9-11,22H,2,12H2,1H3;4-6,8,10-12H,3H2,1-2H3;2*2-4,6,8-10H,1H3,(H2,17,21);1,4-6,8,17-18H,2-3H2,(H,14,16).

What are the key properties of [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?

[3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 2173.21 g/mol, XLogP of 11.47, 18 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(cyclopropylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;ethyl 6-[2-[6-(hydroxymethyl)-2-pyridinyl]ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide);1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]-2-(oxan-2-yloxy)ethanone;1-[6-[2-(6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridin-3-yl]propan-1-one;6-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 157182028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).