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

C154H139BBrN29O15S3 — CID 160700224

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

3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide (PubChem CID 160700224) has the molecular formula C154H139BBrN29O15S3 and a molecular weight of 2822.91 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide
• PubChem CID: 160700224
• Molecular Formula: C154H139BBrN29O15S3
• Molecular Weight: 2822.91 g/mol
• Exact Mass: 2819.94
• IUPAC Name: 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide
• SMILES: COc1ccc(Cn2nc(-c3nc4ccc(NS(C)(=O)=O)cc4[nH]3)c3cc(-c4cncc(-c5ccncc5)c4C)ccc32)cc1.COc1ccc(Cn2nc(C=O)c3cc(-c4cncc(-c5ccncc5)c4C)ccc32)cc1.COc1ccc(Cn2nc(C=O)c3cc(-c4cncc(-c5ccncc5)c4C)ccc32)cc1.COc1ccc(Cn2nc(C=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.CS(=O)(=O)Nc1ccc(N)c(N)c1.Cc1c(-c2ccncc2)cncc1-c1ccc2[nH]nc(-c3nc4ccc(NS(C)(=O)=O)cc4[nH]3)c2c1.Cc1c(Br)cncc1-c1ccncc1
• InChI: InChI=1S/C34H29N7O3S.2C27H22N4O2.C26H21N7O2S.C22H25BN2O4.C11H9BrN2.C7H11N3O2S/c1-21-28(23-12-14-35-15-13-23)18-36-19-29(21)24-6-11-32-27(16-24)33(39-41(32)20-22-4-8-26(44-2)9-5-22)34-37-30-10-7-25(17-31(30)38-34)40-45(3,42)43;2*1-18-24(20-9-11-28-12-10-20)14-29-15-25(18)21-5-8-27-23(13-21)26(17-32)30-31(27)16-19-3-6-22(33-2)7-4-19;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;1-21(2)22(3,4)29-23(28-21)16-8-11-20-18(12-16)19(14-26)24-25(20)13-15-6-9-17(27-5)10-7-15;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/h4-19,40H,20H2,1-3H3,(H,37,38);2*3-15,17H,16H2,1-2H3;3-14,33H,1-2H3,(H,29,30)(H,31,32);6-12,14H,13H2,1-5H3;2-7H,1H3;2-4,10H,8-9H2,1H3
• InChIKey: RQNDHQILCJZVIH-UHFFFAOYSA-N
• XLogP: 28.67
• TPSA: 583.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2822.91
LogP ≤ 5	28.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

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

The IUPAC name of 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide (CID 160700224) is 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide.

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

The canonical SMILES for 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide is COc1ccc(Cn2nc(-c3nc4ccc(NS(C)(=O)=O)cc4[nH]3)c3cc(-c4cncc(-c5ccncc5)c4C)ccc32)cc1.COc1ccc(Cn2nc(C=O)c3cc(-c4cncc(-c5ccncc5)c4C)ccc32)cc1.COc1ccc(Cn2nc(C=O)c3cc(-c4cncc(-c5ccncc5)c4C)ccc32)cc1.COc1ccc(Cn2nc(C=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.CS(=O)(=O)Nc1ccc(N)c(N)c1.Cc1c(-c2ccncc2)cncc1-c1ccc2[nH]nc(-c3nc4ccc(NS(C)(=O)=O)cc4[nH]3)c2c1.Cc1c(Br)cncc1-c1ccncc1.

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

The InChIKey is RQNDHQILCJZVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N7O3S.2C27H22N4O2.C26H21N7O2S.C22H25BN2O4.C11H9BrN2.C7H11N3O2S/c1-21-28(23-12-14-35-15-13-23)18-36-19-29(21)24-6-11-32-27(16-24)33(39-41(32)20-22-4-8-26(44-2)9-5-22)34-37-30-10-7-25(17-31(30)38-34)40-45(3,42)43;2*1-18-24(20-9-11-28-12-10-20)14-29-15-25(18)21-5-8-27-23(13-21)26(17-32)30-31(27)16-19-3-6-22(33-2)7-4-19;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;1-21(2)22(3,4)29-23(28-21)16-8-11-20-18(12-16)19(14-26)24-25(20)13-15-6-9-17(27-5)10-7-15;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/h4-19,40H,20H2,1-3H3,(H,37,38);2*3-15,17H,16H2,1-2H3;3-14,33H,1-2H3,(H,29,30)(H,31,32);6-12,14H,13H2,1-5H3;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-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide?

3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide has a molecular weight of 2822.91 g/mol, XLogP of 28.67, 33 rotatable bonds, 8 hydrogen bond donors, and 38 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-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide is sourced from PubChem (CID 160700224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).