3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde

C126H115BBrN29O11S3 — CID 157132546

About 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde

3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde (PubChem CID 157132546) has the molecular formula C126H115BBrN29O11S3 and a molecular weight of 2398.41 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde.

Molecular Properties

• Compound Name: 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde
• PubChem CID: 157132546
• Molecular Formula: C126H115BBrN29O11S3
• Molecular Weight: 2398.41 g/mol
• Exact Mass: 2395.78
• IUPAC Name: 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde
• SMILES: CS(=O)(=O)Nc1ccc(N)c(N)c1.Cc1c(-c2ccncc2)cncc1-c1ccc2[nH]nc(-c3nc4ccc(NS(C)(=O)=O)cc4[nH]3)c2c1.Cc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(-c1nc3ccc(NS(C)(=O)=O)cc3[nH]1)nn2C.Cc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(C=O)nn2C.Cc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(C=O)nn2C.Cc1c(Br)cncc1-c1ccncc1.Cn1nc(C=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
• InChI: InChI=1S/C27H23N7O2S.C26H21N7O2S.2C20H16N4O.C15H19BN2O3.C11H9BrN2.C7H11N3O2S/c1-16-21(17-8-10-28-11-9-17)14-29-15-22(16)18-4-7-25-20(12-18)26(32-34(25)2)27-30-23-6-5-19(13-24(23)31-27)33-37(3,35)36;1-15-20(16-7-9-27-10-8-16)13-28-14-21(15)17-3-5-22-19(11-17)25(32-31-22)26-29-23-6-4-18(12-24(23)30-26)33-36(2,34)35;2*1-13-17(14-5-7-21-8-6-14)10-22-11-18(13)15-3-4-20-16(9-15)19(12-25)23-24(20)2;1-14(2)15(3,4)21-16(20-14)10-6-7-13-11(8-10)12(9-19)17-18(13)5;1-8-10(6-14-7-11(8)12)9-2-4-13-5-3-9;1-13(11,12)10-5-2-3-6(8)7(9)4-5/h4-15,33H,1-3H3,(H,30,31);3-14,33H,1-2H3,(H,29,30)(H,31,32);2*3-12H,1-2H3;6-9H,1-5H3;2-7H,1H3;2-4,10H,8-9H2,1H3
• InChIKey: AJFWTIVSNLTICO-UHFFFAOYSA-N
• XLogP: 22.59
• TPSA: 546.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2398.41
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

The IUPAC name of 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde (CID 157132546) is 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde.

What is the SMILES notation for 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

The canonical SMILES for 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde is CS(=O)(=O)Nc1ccc(N)c(N)c1.Cc1c(-c2ccncc2)cncc1-c1ccc2[nH]nc(-c3nc4ccc(NS(C)(=O)=O)cc4[nH]3)c2c1.Cc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(-c1nc3ccc(NS(C)(=O)=O)cc3[nH]1)nn2C.Cc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(C=O)nn2C.Cc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(C=O)nn2C.Cc1c(Br)cncc1-c1ccncc1.Cn1nc(C=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.

What is the InChIKey of 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

The InChIKey is AJFWTIVSNLTICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2S.C26H21N7O2S.2C20H16N4O.C15H19BN2O3.C11H9BrN2.C7H11N3O2S/c1-16-21(17-8-10-28-11-9-17)14-29-15-22(16)18-4-7-25-20(12-18)26(32-34(25)2)27-30-23-6-5-19(13-24(23)31-27)33-37(3,35)36;1-15-20(16-7-9-27-10-8-16)13-28-14-21(15)17-3-5-22-19(11-17)25(32-31-22)26-29-23-6-4-18(12-24(23)30-26)33-36(2,34)35;2*1-13-17(14-5-7-21-8-6-14)10-22-11-18(13)15-3-4-20-16(9-15)19(12-25)23-24(20)2;1-14(2)15(3,4)21-16(20-14)10-6-7-13-11(8-10)12(9-19)17-18(13)5;1-8-10(6-14-7-11(8)12)9-2-4-13-5-3-9;1-13(11,12)10-5-2-3-6(8)7(9)4-5/h4-15,33H,1-3H3,(H,30,31);3-14,33H,1-2H3,(H,29,30)(H,31,32);2*3-12H,1-2H3;6-9H,1-5H3;2-7H,1H3;2-4,10H,8-9H2,1H3.

What are the key properties of 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde has a molecular weight of 2398.41 g/mol, XLogP of 22.59, 21 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde is sourced from PubChem (CID 157132546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).