1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C59H60BBr2N17O5 — CID 159958337

About 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159958337) has the molecular formula C59H60BBr2N17O5 and a molecular weight of 1257.86 g/mol. Its IUPAC name is 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 159958337
• Molecular Formula: C59H60BBr2N17O5
• Molecular Weight: 1257.86 g/mol
• Exact Mass: 1255.34
• IUPAC Name: 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: Cn1nccc1-c1cnc2[nH]c(=O)n(Cc3ccccc3)c2c1.Cn1nccc1B1OC(C)(C)C(C)(C)O1.Nc1ncc(Br)cc1NCc1ccccc1.O=C(n1ccnc1)n1ccnc1.O=c1[nH]c2ncc(Br)cc2n1Cc1ccccc1
• InChI: InChI=1S/C17H15N5O.C13H10BrN3O.C12H12BrN3.C10H17BN2O2.C7H6N4O/c1-21-14(7-8-19-21)13-9-15-16(18-10-13)20-17(23)22(15)11-12-5-3-2-4-6-12;14-10-6-11-12(15-7-10)16-13(18)17(11)8-9-4-2-1-3-5-9;13-10-6-11(12(14)16-8-10)15-7-9-4-2-1-3-5-9;1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;12-7(10-3-1-8-5-10)11-4-2-9-6-11/h2-10H,11H2,1H3,(H,18,20,23);1-7H,8H2,(H,15,16,18);1-6,8,15H,7H2,(H2,14,16);6-7H,1-5H3;1-6H
• InChIKey: OCZPRGWNGDNCMH-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 259.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1257.86
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159958337) is 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is Cn1nccc1-c1cnc2[nH]c(=O)n(Cc3ccccc3)c2c1.Cn1nccc1B1OC(C)(C)C(C)(C)O1.Nc1ncc(Br)cc1NCc1ccccc1.O=C(n1ccnc1)n1ccnc1.O=c1[nH]c2ncc(Br)cc2n1Cc1ccccc1.

What is the InChIKey of 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is OCZPRGWNGDNCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O.C13H10BrN3O.C12H12BrN3.C10H17BN2O2.C7H6N4O/c1-21-14(7-8-19-21)13-9-15-16(18-10-13)20-17(23)22(15)11-12-5-3-2-4-6-12;14-10-6-11-12(15-7-10)16-13(18)17(11)8-9-4-2-1-3-5-9;13-10-6-11(12(14)16-8-10)15-7-9-4-2-1-3-5-9;1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;12-7(10-3-1-8-5-10)11-4-2-9-6-11/h2-10H,11H2,1H3,(H,18,20,23);1-7H,8H2,(H,15,16,18);1-6,8,15H,7H2,(H2,14,16);6-7H,1-5H3;1-6H.

What are the key properties of 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1257.86 g/mol, XLogP of 9.06, 9 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-6-bromo-3H-imidazo[4,5-b]pyridin-2-one;3-N-benzyl-5-bromopyridine-2,3-diamine;1-benzyl-6-(2-methylpyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;di(imidazol-1-yl)methanone;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159958337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).