5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C87H99BBrN17O11 — CID 167588141

About 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 167588141) has the molecular formula C87H99BBrN17O11 and a molecular weight of 1649.57 g/mol. Its IUPAC name is 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 167588141
• Molecular Formula: C87H99BBrN17O11
• Molecular Weight: 1649.57 g/mol
• Exact Mass: 1647.70
• IUPAC Name: 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: CC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccccn4)CC3)nc2)n2c(C#N)cnc2c1.CC(C)(O)COc1cc(Br)n2c(C#N)cnc2c1.CC1(C)OB(c2ccc(N3CCC(Oc4cccnc4)CC3)nc2)OC1(C)C.Cc1cnc2cc(OCC(C)(C)O)cc(-c3ccc(N4CCC(Oc5cccnc5)CC4)nc3)n12
• InChI: InChI=1S/C27H28N6O3.C27H31N5O3.C21H28BN3O3.C12H12BrN3O2/c1-27(2,34)18-35-22-13-23(33-20(15-28)17-31-25(33)14-22)19-6-7-24(30-16-19)32-11-8-21(9-12-32)36-26-5-3-4-10-29-26;1-19-15-29-26-14-23(34-18-27(2,3)33)13-24(32(19)26)20-6-7-25(30-16-20)31-11-8-21(9-12-31)35-22-5-4-10-28-17-22;1-20(2)21(3,4)28-22(27-20)16-7-8-19(24-14-16)25-12-9-17(10-13-25)26-18-6-5-11-23-15-18;1-12(2,17)7-18-9-3-10(13)16-8(5-14)6-15-11(16)4-9/h3-7,10,13-14,16-17,21,34H,8-9,11-12,18H2,1-2H3;4-7,10,13-17,21,33H,8-9,11-12,18H2,1-3H3;5-8,11,14-15,17H,9-10,12-13H2,1-4H3;3-4,6,17H,7H2,1-2H3
• InChIKey: IBKQOANWPSEYMR-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 321.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1649.57
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 167588141) is 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccccn4)CC3)nc2)n2c(C#N)cnc2c1.CC(C)(O)COc1cc(Br)n2c(C#N)cnc2c1.CC1(C)OB(c2ccc(N3CCC(Oc4cccnc4)CC3)nc2)OC1(C)C.Cc1cnc2cc(OCC(C)(C)O)cc(-c3ccc(N4CCC(Oc5cccnc5)CC4)nc3)n12.

What is the InChIKey of 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is IBKQOANWPSEYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3.C27H31N5O3.C21H28BN3O3.C12H12BrN3O2/c1-27(2,34)18-35-22-13-23(33-20(15-28)17-31-25(33)14-22)19-6-7-24(30-16-19)32-11-8-21(9-12-32)36-26-5-3-4-10-29-26;1-19-15-29-26-14-23(34-18-27(2,3)33)13-24(32(19)26)20-6-7-25(30-16-20)31-11-8-21(9-12-31)35-22-5-4-10-28-17-22;1-20(2)21(3,4)28-22(27-20)16-7-8-19(24-14-16)25-12-9-17(10-13-25)26-18-6-5-11-23-15-18;1-12(2,17)7-18-9-3-10(13)16-8(5-14)6-15-11(16)4-9/h3-7,10,13-14,16-17,21,34H,8-9,11-12,18H2,1-2H3;4-7,10,13-17,21,33H,8-9,11-12,18H2,1-3H3;5-8,11,14-15,17H,9-10,12-13H2,1-4H3;3-4,6,17H,7H2,1-2H3.

What are the key properties of 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 1649.57 g/mol, XLogP of 13.10, 21 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 167588141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).