2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride

C106H135B2BrCl3N24O17P3 — CID 158167433

About 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride

2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride (PubChem CID 158167433) has the molecular formula C106H135B2BrCl3N24O17P3 and a molecular weight of 2318.21 g/mol. Its IUPAC name is 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride
• PubChem CID: 158167433
• Molecular Formula: C106H135B2BrCl3N24O17P3
• Molecular Weight: 2318.21 g/mol
• Exact Mass: 2314.81
• IUPAC Name: 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1.CC(C)(C)c1noc(C(=O)O)n1.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.Cl.Clc1ccnc2nc(Br)[nH]c12.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(Cl)c3[nH]2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C24H26N6O2.C20H30BNO4.C20H19N5.C10H17BN2O2.C10H8ClN5.C9H21O6P3.C7H10N2O3.C6H3BrClN3.ClH/c1-24(2,3)32-23(31)30-10-8-15-11-16(5-6-17(15)14-30)19-7-9-25-22-20(19)27-21(28-22)18-12-26-29(4)13-18;1-18(2,3)24-17(23)22-11-10-14-12-16(9-8-15(14)13-22)21-25-19(4,5)20(6,7)26-21;1-25-12-16(11-22-25)19-23-18-17(8-9-21-20(18)24-19)15-7-6-13-4-2-3-5-14(13)10-15;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-16-5-6(4-13-16)9-14-8-7(11)2-3-12-10(8)15-9;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-7(2,3)6-8-4(5(10)11)12-9-6;7-6-10-4-3(8)1-2-9-5(4)11-6;/h5-7,9,11-13H,8,10,14H2,1-4H3,(H,25,27,28);8-9,12H,10-11,13H2,1-7H3;6-12H,2-5H2,1H3,(H,21,23,24);6-7H,1-5H3;2-5H,1H3,(H,12,14,15);4-9H2,1-3H3;1-3H3,(H,10,11);1-2H,(H,9,10,11);1H
• InChIKey: VUCXSHPFFKXXDF-UHFFFAOYSA-N
• XLogP: 22.95
• TPSA: 488.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2318.21
LogP ≤ 5	22.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?

The IUPAC name of 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride (CID 158167433) is 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride.

What is the SMILES notation for 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?

The canonical SMILES for 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride is CC(C)(C)OC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1.CC(C)(C)c1noc(C(=O)O)n1.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.Cl.Clc1ccnc2nc(Br)[nH]c12.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(Cl)c3[nH]2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?

The InChIKey is VUCXSHPFFKXXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C20H30BNO4.C20H19N5.C10H17BN2O2.C10H8ClN5.C9H21O6P3.C7H10N2O3.C6H3BrClN3.ClH/c1-24(2,3)32-23(31)30-10-8-15-11-16(5-6-17(15)14-30)19-7-9-25-22-20(19)27-21(28-22)18-12-26-29(4)13-18;1-18(2,3)24-17(23)22-11-10-14-12-16(9-8-15(14)13-22)21-25-19(4,5)20(6,7)26-21;1-25-12-16(11-22-25)19-23-18-17(8-9-21-20(18)24-19)15-7-6-13-4-2-3-5-14(13)10-15;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-16-5-6(4-13-16)9-14-8-7(11)2-3-12-10(8)15-9;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-7(2,3)6-8-4(5(10)11)12-9-6;7-6-10-4-3(8)1-2-9-5(4)11-6;/h5-7,9,11-13H,8,10,14H2,1-4H3,(H,25,27,28);8-9,12H,10-11,13H2,1-7H3;6-12H,2-5H2,1H3,(H,21,23,24);6-7H,1-5H3;2-5H,1H3,(H,12,14,15);4-9H2,1-3H3;1-3H3,(H,10,11);1-2H,(H,9,10,11);1H.

What are the key properties of 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?

2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride has a molecular weight of 2318.21 g/mol, XLogP of 22.95, 14 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-7-chloro-1H-imidazo[4,5-b]pyridine;tert-butyl 6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;7-chloro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;2-(1-methylpyrazol-4-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride is sourced from PubChem (CID 158167433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).