3-bromo-4-methyl-5-pyridin-4-ylpyridine;(2,3-diaminophenyl)methanol;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;1-[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C125H135B3BrI3N20O13 — CID 159566564

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

3-bromo-4-methyl-5-pyridin-4-ylpyridine;(2,3-diaminophenyl)methanol;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;1-[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159566564) has the molecular formula C125H135B3BrI3N20O13 and a molecular weight of 2618.63 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-pyridin-4-ylpyridine;(2,3-diaminophenyl)methanol;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;1-[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 3-bromo-4-methyl-5-pyridin-4-ylpyridine;(2,3-diaminophenyl)methanol;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;1-[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159566564
• Molecular Formula: C125H135B3BrI3N20O13
• Molecular Weight: 2618.63 g/mol
• Exact Mass: 2616.71
• IUPAC Name: 3-bromo-4-methyl-5-pyridin-4-ylpyridine;(2,3-diaminophenyl)methanol;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;1-[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1ccc(Cn2nc(-c3nc4c(CN(C)C)cccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(CN(C)C)cccc4[nH]3)c3cc(I)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(CO)cccc4[nH]3)c3cc(I)ccc32)cc1.COc1ccc(Cn2nc(C=O)c3cc(I)ccc32)cc1.Cc1c(Br)cncc1-c1ccncc1.Nc1cccc(CO)c1N
• InChI: InChI=1S/C31H36BN5O3.C25H24IN5O.C23H19IN4O2.C16H13IN2O2.C12H24B2O4.C11H9BrN2.C7H10N2O/c1-30(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;1-30(2)15-17-5-4-6-21-23(17)28-25(27-21)24-20-13-18(26)9-12-22(20)31(29-24)14-16-7-10-19(32-3)11-8-16;1-30-17-8-5-14(6-9-17)12-28-20-10-7-16(24)11-18(20)22(27-28)23-25-19-4-2-3-15(13-29)21(19)26-23;1-21-13-5-2-11(3-6-13)9-19-16-7-4-12(17)8-14(16)15(10-20)18-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-10(6-14-7-11(8)12)9-2-4-13-5-3-9;8-6-3-1-2-5(4-10)7(6)9/h8-17H,18-19H2,1-7H3,(H,33,34);4-13H,14-15H2,1-3H3,(H,27,28);2-11,29H,12-13H2,1H3,(H,25,26);2-8,10H,9H2,1H3;1-8H3;2-7H,1H3;1-3,10H,4,8-9H2
• InChIKey: MHGRJXVYWYEGGT-UHFFFAOYSA-N
• XLogP: 24.35
• TPSA: 391.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2618.63
LogP ≤ 5	24.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-bromo-4-methyl-5-pyridin-4-ylpyridine;(2,3-diaminophenyl)methanol;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;1-[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159566564) is 3-bromo-4-methyl-5-pyridin-4-ylpyridine;(2,3-diaminophenyl)methanol;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;1-[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

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

The canonical SMILES for 3-bromo-4-methyl-5-pyridin-4-ylpyridine;(2,3-diaminophenyl)methanol;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;1-[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1ccc(Cn2nc(-c3nc4c(CN(C)C)cccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(CN(C)C)cccc4[nH]3)c3cc(I)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(CO)cccc4[nH]3)c3cc(I)ccc32)cc1.COc1ccc(Cn2nc(C=O)c3cc(I)ccc32)cc1.Cc1c(Br)cncc1-c1ccncc1.Nc1cccc(CO)c1N.

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

The InChIKey is MHGRJXVYWYEGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36BN5O3.C25H24IN5O.C23H19IN4O2.C16H13IN2O2.C12H24B2O4.C11H9BrN2.C7H10N2O/c1-30(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;1-30(2)15-17-5-4-6-21-23(17)28-25(27-21)24-20-13-18(26)9-12-22(20)31(29-24)14-16-7-10-19(32-3)11-8-16;1-30-17-8-5-14(6-9-17)12-28-20-10-7-16(24)11-18(20)22(27-28)23-25-19-4-2-3-15(13-29)21(19)26-23;1-21-13-5-2-11(3-6-13)9-19-16-7-4-12(17)8-14(16)15(10-20)18-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-10(6-14-7-11(8)12)9-2-4-13-5-3-9;8-6-3-1-2-5(4-10)7(6)9/h8-17H,18-19H2,1-7H3,(H,33,34);4-13H,14-15H2,1-3H3,(H,27,28);2-11,29H,12-13H2,1H3,(H,25,26);2-8,10H,9H2,1H3;1-8H3;2-7H,1H3;1-3,10H,4,8-9H2.

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

3-bromo-4-methyl-5-pyridin-4-ylpyridine;(2,3-diaminophenyl)methanol;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;1-[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2618.63 g/mol, XLogP of 24.35, 25 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-methyl-5-pyridin-4-ylpyridine;(2,3-diaminophenyl)methanol;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;1-[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159566564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).