5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine

C46H32N13O2+ — CID 137158609

About 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine

5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 137158609) has the molecular formula C46H32N13O2+ and a molecular weight of 798.85 g/mol. Its IUPAC name is 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
• PubChem CID: 137158609
• Molecular Formula: C46H32N13O2+
• Molecular Weight: 798.85 g/mol
• Exact Mass: 798.28
• IUPAC Name: 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
• SMILES: CN(C)c1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6coc(-[n+]7cc(-c8cccnc8)cc8c(-c9nc%10c(-c%11ccoc%11)cccc%10[nH]9)n[nH]c87)c6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C46H31N13O2/c1-58(2)31-14-27(19-48-21-31)28-15-34-41(54-56-43(34)49-20-28)44-50-37-10-4-8-33(40(37)53-44)30-17-38(61-24-30)59-22-29(25-6-5-12-47-18-25)16-35-42(55-57-46(35)59)45-51-36-9-3-7-32(39(36)52-45)26-11-13-60-23-26/h3-24H,1-2H3,(H3,49,50,51,52,53,54,55,56)/p+1
• InChIKey: PGJYIVXMYQEQCS-UHFFFAOYSA-O
• XLogP: 8.91
• TPSA: 186.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.85
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?

The IUPAC name of 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine (CID 137158609) is 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine.

What is the SMILES notation for 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?

The canonical SMILES for 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6coc(-[n+]7cc(-c8cccnc8)cc8c(-c9nc%10c(-c%11ccoc%11)cccc%10[nH]9)n[nH]c87)c6)cccc5[nH]4)c3c2)c1.

What is the InChIKey of 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?

The InChIKey is PGJYIVXMYQEQCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C46H31N13O2/c1-58(2)31-14-27(19-48-21-31)28-15-34-41(54-56-43(34)49-20-28)44-50-37-10-4-8-33(40(37)53-44)30-17-38(61-24-30)59-22-29(25-6-5-12-47-18-25)16-35-42(55-57-46(35)59)45-51-36-9-3-7-32(39(36)52-45)26-11-13-60-23-26/h3-24H,1-2H3,(H3,49,50,51,52,53,54,55,56)/p+1.

What are the key properties of 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?

5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 798.85 g/mol, XLogP of 8.91, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridin-7-ium-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 137158609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).