3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine

C106H103BBrN21O4 — CID 158034853

About 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine

3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 158034853) has the molecular formula C106H103BBrN21O4 and a molecular weight of 1825.85 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine
• PubChem CID: 158034853
• Molecular Formula: C106H103BBrN21O4
• Molecular Weight: 1825.85 g/mol
• Exact Mass: 1823.78
• IUPAC Name: 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine
• SMILES: COc1ccc(Cn2nc(-c3nc4c(CN(C)C)cccc4[nH]3)c3cc(-c4cncc(-c5ccncc5)c4C)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(CN(C)C)cccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(-c2ccncc2)cncc1-c1ccc2[nH]nc(-c3nc4c(CN(C)C)cccc4[nH]3)c2c1.Cc1c(Br)cncc1-c1ccncc1
• InChI: InChI=1S/C36H33N7O.C31H36BN5O3.C28H25N7.C11H9BrN2/c1-23-30(25-14-16-37-17-15-25)19-38-20-31(23)26-10-13-33-29(18-26)35(41-43(33)21-24-8-11-28(44-4)12-9-24)36-39-32-7-5-6-27(22-42(2)3)34(32)40-36;1-30(2)31(3,4)40-32(39-30)22-13-16-26-24(17-22)28(35-37(26)18-20-11-14-23(38-7)15-12-20)29-33-25-10-8-9-21(19-36(5)6)27(25)34-29;1-17-22(18-9-11-29-12-10-18)14-30-15-23(17)19-7-8-24-21(13-19)27(34-33-24)28-31-25-6-4-5-20(16-35(2)3)26(25)32-28;1-8-10(6-14-7-11(8)12)9-2-4-13-5-3-9/h5-20H,21-22H2,1-4H3,(H,39,40);8-17H,18-19H2,1-7H3,(H,33,34);4-15H,16H2,1-3H3,(H,31,32)(H,33,34);2-7H,1H3
• InChIKey: FHPVWLQXNGSINA-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 274.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1825.85
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'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,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine?

The IUPAC name of 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine (CID 158034853) is 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine.

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

The canonical SMILES for 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine is COc1ccc(Cn2nc(-c3nc4c(CN(C)C)cccc4[nH]3)c3cc(-c4cncc(-c5ccncc5)c4C)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(CN(C)C)cccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(-c2ccncc2)cncc1-c1ccc2[nH]nc(-c3nc4c(CN(C)C)cccc4[nH]3)c2c1.Cc1c(Br)cncc1-c1ccncc1.

What is the InChIKey of 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine?

The InChIKey is FHPVWLQXNGSINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N7O.C31H36BN5O3.C28H25N7.C11H9BrN2/c1-23-30(25-14-16-37-17-15-25)19-38-20-31(23)26-10-13-33-29(18-26)35(41-43(33)21-24-8-11-28(44-4)12-9-24)36-39-32-7-5-6-27(22-42(2)3)34(32)40-36;1-30(2)31(3,4)40-32(39-30)22-13-16-26-24(17-22)28(35-37(26)18-20-11-14-23(38-7)15-12-20)29-33-25-10-8-9-21(19-36(5)6)27(25)34-29;1-17-22(18-9-11-29-12-10-18)14-30-15-23(17)19-7-8-24-21(13-19)27(34-33-24)28-31-25-6-4-5-20(16-35(2)3)26(25)32-28;1-8-10(6-14-7-11(8)12)9-2-4-13-5-3-9/h5-20H,21-22H2,1-4H3,(H,39,40);8-17H,18-19H2,1-7H3,(H,33,34);4-15H,16H2,1-3H3,(H,31,32)(H,33,34);2-7H,1H3.

What are the key properties of 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine?

3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 1825.85 g/mol, XLogP of 20.94, 21 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 158034853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).