5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine

C125H92F3N37 — CID 158953793

About 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 158953793) has the molecular formula C125H92F3N37 and a molecular weight of 2169.36 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 158953793
• Molecular Formula: C125H92F3N37
• Molecular Weight: 2169.36 g/mol
• Exact Mass: 2167.83
• IUPAC Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
• SMILES: CCNCc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.Cc1ccncc1-c1cnc2n[nH]c(-c3nc4c(-c5cccnc5)cccc4[nH]3)c2c1.Fc1ccccc1-c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)nc12.Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C29H22F3N7.C26H22N8.C24H17N7.C23H16N8.C23H15N7/c30-23-6-2-1-4-20(23)21-5-3-7-24-25(21)36-28(35-24)26-22-11-19(14-34-27(22)38-37-26)18-10-17(12-33-13-18)15-39-9-8-29(31,32)16-39;1-2-27-11-16-9-18(14-29-12-16)19-10-21-24(33-34-25(21)30-15-19)26-31-22-7-3-6-20(23(22)32-26)17-5-4-8-28-13-17;1-14-7-9-26-13-19(14)16-10-18-22(30-31-23(18)27-12-16)24-28-20-6-2-5-17(21(20)29-24)15-4-3-8-25-11-15;24-16-7-14(10-26-12-16)15-8-18-21(30-31-22(18)27-11-15)23-28-19-5-1-4-17(20(19)29-23)13-3-2-6-25-9-13;1-6-17(15-5-3-9-25-12-15)20-19(7-1)27-23(28-20)21-18-10-16(13-26-22(18)30-29-21)14-4-2-8-24-11-14/h1-7,10-14H,8-9,15-16H2,(H,35,36)(H,34,37,38);3-10,12-15,27H,2,11H2,1H3,(H,31,32)(H,30,33,34);2-13H,1H3,(H,28,29)(H,27,30,31);1-12H,24H2,(H,28,29)(H,27,30,31);1-13H,(H,27,28)(H,26,29,30)
• InChIKey: JLTHBQXFEOOOLE-UHFFFAOYSA-N
• XLogP: 24.71
• TPSA: 508.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2169.36
LogP ≤ 5	24.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 158953793) is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine is CCNCc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.Cc1ccncc1-c1cnc2n[nH]c(-c3nc4c(-c5cccnc5)cccc4[nH]3)c2c1.Fc1ccccc1-c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)nc12.Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.

What is the InChIKey of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is JLTHBQXFEOOOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F3N7.C26H22N8.C24H17N7.C23H16N8.C23H15N7/c30-23-6-2-1-4-20(23)21-5-3-7-24-25(21)36-28(35-24)26-22-11-19(14-34-27(22)38-37-26)18-10-17(12-33-13-18)15-39-9-8-29(31,32)16-39;1-2-27-11-16-9-18(14-29-12-16)19-10-21-24(33-34-25(21)30-15-19)26-31-22-7-3-6-20(23(22)32-26)17-5-4-8-28-13-17;1-14-7-9-26-13-19(14)16-10-18-22(30-31-23(18)27-12-16)24-28-20-6-2-5-17(21(20)29-24)15-4-3-8-25-11-15;24-16-7-14(10-26-12-16)15-8-18-21(30-31-22(18)27-11-15)23-28-19-5-1-4-17(20(19)29-23)13-3-2-6-25-9-13;1-6-17(15-5-3-9-25-12-15)20-19(7-1)27-23(28-20)21-18-10-16(13-26-22(18)30-29-21)14-4-2-8-24-11-14/h1-7,10-14H,8-9,15-16H2,(H,35,36)(H,34,37,38);3-10,12-15,27H,2,11H2,1H3,(H,31,32)(H,30,33,34);2-13H,1H3,(H,28,29)(H,27,30,31);1-12H,24H2,(H,28,29)(H,27,30,31);1-13H,(H,27,28)(H,26,29,30).

What are the key properties of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine?

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 2169.36 g/mol, XLogP of 24.71, 20 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 158953793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).