7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

C111H127BBrN27O15 — CID 167571935

About 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 167571935) has the molecular formula C111H127BBrN27O15 and a molecular weight of 2170.13 g/mol. Its IUPAC name is 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

Molecular Properties

• Compound Name: 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
• PubChem CID: 167571935
• Molecular Formula: C111H127BBrN27O15
• Molecular Weight: 2170.13 g/mol
• Exact Mass: 2167.93
• IUPAC Name: 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
• SMILES: CC(C)(C)OC(=O)NC1CCCOc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CC(C)(C)c1noc(C(=O)O)n1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCCC5CC(=O)OC(C)(C)C)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCCC5N)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCCC5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(Br)c3[nH]2)cn1
• InChI: InChI=1S/C27H28N8O3.C26H29N5O3.C21H32BNO5.C20H20N6O.C10H8BrN5.C7H10N2O3/c1-27(2,3)26-33-24(34-38-26)25(36)30-19-6-5-11-37-20-12-15(7-8-18(19)20)17-9-10-28-23-21(17)31-22(32-23)16-13-29-35(4)14-16;1-26(2,3)34-22(32)13-16-6-5-11-33-21-12-17(7-8-19(16)21)20-9-10-27-25-23(20)29-24(30-25)18-14-28-31(4)15-18;1-19(2,3)26-18(24)23-16-9-8-12-25-17-13-14(10-11-15(16)17)22-27-20(4,5)21(6,7)28-22;1-26-11-13(10-23-26)19-24-18-14(6-7-22-20(18)25-19)12-4-5-15-16(21)3-2-8-27-17(15)9-12;1-16-5-6(4-13-16)9-14-8-7(11)2-3-12-10(8)15-9;1-7(2,3)6-8-4(5(10)11)12-9-6/h7-10,12-14,19H,5-6,11H2,1-4H3,(H,30,36)(H,28,31,32);7-10,12,14-16H,5-6,11,13H2,1-4H3,(H,27,29,30);10-11,13,16H,8-9,12H2,1-7H3,(H,23,24);4-7,9-11,16H,2-3,8,21H2,1H3,(H,22,24,25);2-5H,1H3,(H,12,14,15);1-3H3,(H,10,11)
• InChIKey: GADSVAAAPWUYGQ-UHFFFAOYSA-N
• XLogP: 19.47
• TPSA: 527.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 14
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2170.13
LogP ≤ 5	19.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?

The IUPAC name of 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 167571935) is 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

What is the SMILES notation for 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?

The canonical SMILES for 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is CC(C)(C)OC(=O)NC1CCCOc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CC(C)(C)c1noc(C(=O)O)n1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCCC5CC(=O)OC(C)(C)C)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCCC5N)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCCC5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(Br)c3[nH]2)cn1.

What is the InChIKey of 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?

The InChIKey is GADSVAAAPWUYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O3.C26H29N5O3.C21H32BNO5.C20H20N6O.C10H8BrN5.C7H10N2O3/c1-27(2,3)26-33-24(34-38-26)25(36)30-19-6-5-11-37-20-12-15(7-8-18(19)20)17-9-10-28-23-21(17)31-22(32-23)16-13-29-35(4)14-16;1-26(2,3)34-22(32)13-16-6-5-11-33-21-12-17(7-8-19(16)21)20-9-10-27-25-23(20)29-24(30-25)18-14-28-31(4)15-18;1-19(2,3)26-18(24)23-16-9-8-12-25-17-13-14(10-11-15(16)17)22-27-20(4,5)21(6,7)28-22;1-26-11-13(10-23-26)19-24-18-14(6-7-22-20(18)25-19)12-4-5-15-16(21)3-2-8-27-17(15)9-12;1-16-5-6(4-13-16)9-14-8-7(11)2-3-12-10(8)15-9;1-7(2,3)6-8-4(5(10)11)12-9-6/h7-10,12-14,19H,5-6,11H2,1-4H3,(H,30,36)(H,28,31,32);7-10,12,14-16H,5-6,11,13H2,1-4H3,(H,27,29,30);10-11,13,16H,8-9,12H2,1-7H3,(H,23,24);4-7,9-11,16H,2-3,8,21H2,1H3,(H,22,24,25);2-5H,1H3,(H,12,14,15);1-3H3,(H,10,11).

What are the key properties of 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?

7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 2170.13 g/mol, XLogP of 19.47, 14 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetate;5-tert-butyl-N-[8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 167571935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).