7-bromo-2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

C119H143BBrN27O15 — CID 167623878

About 7-bromo-2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

7-bromo-2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 167623878) has the molecular formula C119H143BBrN27O15 and a molecular weight of 2282.34 g/mol. Its IUPAC name is 7-bromo-2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
• PubChem CID: 167623878
• Molecular Formula: C119H143BBrN27O15
• Molecular Weight: 2282.34 g/mol
• Exact Mass: 2280.05
• IUPAC Name: 7-bromo-2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-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.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCCC4CC(=O)OC(C)(C)C)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCCC4N)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCCC4NC(=O)c3noc(C(C)(C)C)n3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(Br)c2[nH]1
• InChI: InChI=1S/C29H32N8O3.C28H33N5O3.C22H24N6O.C21H32BNO5.C12H12BrN5.C7H10N2O3/c1-15-22(16(2)37(6)35-15)24-32-23-18(11-12-30-25(23)33-24)17-9-10-19-20(8-7-13-39-21(19)14-17)31-27(38)26-34-28(40-36-26)29(3,4)5;1-16-24(17(2)33(6)32-16)26-30-25-21(11-12-29-27(25)31-26)19-9-10-20-18(8-7-13-35-22(20)14-19)15-23(34)36-28(3,4)5;1-12-19(13(2)28(3)27-12)21-25-20-15(8-9-24-22(20)26-21)14-6-7-16-17(23)5-4-10-29-18(16)11-14;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;1-6-9(7(2)18(3)17-6)11-15-10-8(13)4-5-14-12(10)16-11;1-7(2,3)6-8-4(5(10)11)12-9-6/h9-12,14,20H,7-8,13H2,1-6H3,(H,31,38)(H,30,32,33);9-12,14,18H,7-8,13,15H2,1-6H3,(H,29,30,31);6-9,11,17H,4-5,10,23H2,1-3H3,(H,24,25,26);10-11,13,16H,8-9,12H2,1-7H3,(H,23,24);4-5H,1-3H3,(H,14,15,16);1-3H3,(H,10,11)
• InChIKey: MUVQFJDCPHNVNV-UHFFFAOYSA-N
• XLogP: 21.94
• TPSA: 527.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 14
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2282.34
LogP ≤ 5	21.94
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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 167623878) is 7-bromo-2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-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.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCCC4CC(=O)OC(C)(C)C)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCCC4N)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCCC4NC(=O)c3noc(C(C)(C)C)n3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(Br)c2[nH]1.

What is the InChIKey of 7-bromo-2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?

The InChIKey is MUVQFJDCPHNVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O3.C28H33N5O3.C22H24N6O.C21H32BNO5.C12H12BrN5.C7H10N2O3/c1-15-22(16(2)37(6)35-15)24-32-23-18(11-12-30-25(23)33-24)17-9-10-19-20(8-7-13-39-21(19)14-17)31-27(38)26-34-28(40-36-26)29(3,4)5;1-16-24(17(2)33(6)32-16)26-30-25-21(11-12-29-27(25)31-26)19-9-10-20-18(8-7-13-35-22(20)14-19)15-23(34)36-28(3,4)5;1-12-19(13(2)28(3)27-12)21-25-20-15(8-9-24-22(20)26-21)14-6-7-16-17(23)5-4-10-29-18(16)11-14;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;1-6-9(7(2)18(3)17-6)11-15-10-8(13)4-5-14-12(10)16-11;1-7(2,3)6-8-4(5(10)11)12-9-6/h9-12,14,20H,7-8,13H2,1-6H3,(H,31,38)(H,30,32,33);9-12,14,18H,7-8,13,15H2,1-6H3,(H,29,30,31);6-9,11,17H,4-5,10,23H2,1-3H3,(H,24,25,26);10-11,13,16H,8-9,12H2,1-7H3,(H,23,24);4-5H,1-3H3,(H,14,15,16);1-3H3,(H,10,11).

What are the key properties of 7-bromo-2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?

7-bromo-2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 2282.34 g/mol, XLogP of 21.94, 14 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;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;tert-butyl 2-[8-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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;8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 167623878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).