N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

C119H92Cl2N36O3 — CID 157275717

About N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 157275717) has the molecular formula C119H92Cl2N36O3 and a molecular weight of 2145.20 g/mol. Its IUPAC name is N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 157275717
• Molecular Formula: C119H92Cl2N36O3
• Molecular Weight: 2145.20 g/mol
• Exact Mass: 2142.75
• IUPAC Name: N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
• SMILES: CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5ccccc5[nH]4)c3c2)c1.CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(Cl)c6)cccc5[nH]4)c3c2)cn1.Cc1cn(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnccc6C)cc45)nc23)cn1.Nc1nccc(-c2cnc3n[nH]c(-c4nc5ccccc5[nH]4)c3c2)n1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(Cl)c6)cccc5[nH]4)c3c2)c1)C1CC1
• InChI: InChI=1S/C28H20ClN7O.C28H21ClN6O.C23H18N8.C23H21N7O.C17H12N8/c29-19-4-1-3-16(9-19)21-5-2-6-23-24(21)34-27(33-23)25-22-11-18(13-31-26(22)36-35-25)17-10-20(14-30-12-17)32-28(37)15-7-8-15;1-2-21(36)13-20-10-9-17(14-30-20)18-12-23-26(34-35-27(23)31-15-18)28-32-24-8-4-7-22(25(24)33-28)16-5-3-6-19(29)11-16;1-13-6-7-24-10-17(13)15-8-16-20(29-30-22(16)25-9-15)23-27-18-4-3-5-19(21(18)28-23)31-11-14(2)26-12-31;1-13(2)7-20(31)26-16-8-14(10-24-12-16)15-9-17-21(29-30-22(17)25-11-15)23-27-18-5-3-4-6-19(18)28-23;18-17-19-6-5-11(23-17)9-7-10-14(24-25-15(10)20-8-9)16-21-12-3-1-2-4-13(12)22-16/h1-6,9-15H,7-8H2,(H,32,37)(H,33,34)(H,31,35,36);3-12,14-15H,2,13H2,1H3,(H,32,33)(H,31,34,35);3-12H,1-2H3,(H,27,28)(H,25,29,30);3-6,8-13H,7H2,1-2H3,(H,26,31)(H,27,28)(H,25,29,30);1-8H,(H,21,22)(H2,18,19,23)(H,20,24,25)
• InChIKey: AZBNIFPPKYRESM-UHFFFAOYSA-N
• XLogP: 24.09
• TPSA: 547.70 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2145.20
LogP ≤ 5	24.09
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 157275717) is N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5ccccc5[nH]4)c3c2)c1.CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(Cl)c6)cccc5[nH]4)c3c2)cn1.Cc1cn(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnccc6C)cc45)nc23)cn1.Nc1nccc(-c2cnc3n[nH]c(-c4nc5ccccc5[nH]4)c3c2)n1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(Cl)c6)cccc5[nH]4)c3c2)c1)C1CC1.

What is the InChIKey of N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is AZBNIFPPKYRESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN7O.C28H21ClN6O.C23H18N8.C23H21N7O.C17H12N8/c29-19-4-1-3-16(9-19)21-5-2-6-23-24(21)34-27(33-23)25-22-11-18(13-31-26(22)36-35-25)17-10-20(14-30-12-17)32-28(37)15-7-8-15;1-2-21(36)13-20-10-9-17(14-30-20)18-12-23-26(34-35-27(23)31-15-18)28-32-24-8-4-7-22(25(24)33-28)16-5-3-6-19(29)11-16;1-13-6-7-24-10-17(13)15-8-16-20(29-30-22(16)25-9-15)23-27-18-4-3-5-19(21(18)28-23)31-11-14(2)26-12-31;1-13(2)7-20(31)26-16-8-14(10-24-12-16)15-9-17-21(29-30-22(17)25-11-15)23-27-18-5-3-4-6-19(18)28-23;18-17-19-6-5-11(23-17)9-7-10-14(24-25-15(10)20-8-9)16-21-12-3-1-2-4-13(12)22-16/h1-6,9-15H,7-8H2,(H,32,37)(H,33,34)(H,31,35,36);3-12,14-15H,2,13H2,1H3,(H,32,33)(H,31,34,35);3-12H,1-2H3,(H,27,28)(H,25,29,30);3-6,8-13H,7H2,1-2H3,(H,26,31)(H,27,28)(H,25,29,30);1-8H,(H,21,22)(H2,18,19,23)(H,20,24,25).

What are the key properties of N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?

N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 2145.20 g/mol, XLogP of 24.09, 21 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 157275717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).