3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine

C113H105N35O3 — CID 162085607

About 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine

3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 162085607) has the molecular formula C113H105N35O3 and a molecular weight of 2001.32 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
• PubChem CID: 162085607
• Molecular Formula: C113H105N35O3
• Molecular Weight: 2001.32 g/mol
• Exact Mass: 1999.91
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
• SMILES: CC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5ccccc5[nH]4)c3c2)c1.CCC(CC)NC(=O)c1cnc2n[nH]c(-c3nc4ccccc4[nH]3)c2c1.CCNCc1cncc(-c2cnc3n[nH]c(-c4nc5c(-n6cnc(C)c6)cccc5[nH]4)c3c2)c1C.Cc1ccc(CN2CCC(NC(=O)c3cnc4n[nH]c(-c5nc6ccccc6[nH]5)c4c3)CC2)cc1.Cc1ccncc1-c1cnc2n[nH]c(-c3nc4ccccc4[nH]3)c2c1
• InChI: InChI=1S/C27H27N7O.C26H25N9.C22H19N7O.C19H20N6O.C19H14N6/c1-17-6-8-18(9-7-17)16-34-12-10-20(11-13-34)29-27(35)19-14-21-24(32-33-25(21)28-15-19)26-30-22-4-2-3-5-23(22)31-26;1-4-27-9-18-10-28-12-20(16(18)3)17-8-19-23(33-34-25(19)29-11-17)26-31-21-6-5-7-22(24(21)32-26)35-13-15(2)30-14-35;1-12(2)22(30)25-15-7-13(9-23-11-15)14-8-16-19(28-29-20(16)24-10-14)21-26-17-5-3-4-6-18(17)27-21;1-3-12(4-2)21-19(26)11-9-13-16(24-25-17(13)20-10-11)18-22-14-7-5-6-8-15(14)23-18;1-11-6-7-20-10-14(11)12-8-13-17(24-25-18(13)21-9-12)19-22-15-4-2-3-5-16(15)23-19/h2-9,14-15,20H,10-13,16H2,1H3,(H,29,35)(H,30,31)(H,28,32,33);5-8,10-14,27H,4,9H2,1-3H3,(H,31,32)(H,29,33,34);3-12H,1-2H3,(H,25,30)(H,26,27)(H,24,28,29);5-10,12H,3-4H2,1-2H3,(H,21,26)(H,22,23)(H,20,24,25);2-10H,1H3,(H,22,23)(H,21,24,25)
• InChIKey: ZCXMQZSPTGEJBH-UHFFFAOYSA-N
• XLogP: 20.13
• TPSA: 510.31 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2001.32
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (CID 162085607) is 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.

What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is CC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5ccccc5[nH]4)c3c2)c1.CCC(CC)NC(=O)c1cnc2n[nH]c(-c3nc4ccccc4[nH]3)c2c1.CCNCc1cncc(-c2cnc3n[nH]c(-c4nc5c(-n6cnc(C)c6)cccc5[nH]4)c3c2)c1C.Cc1ccc(CN2CCC(NC(=O)c3cnc4n[nH]c(-c5nc6ccccc6[nH]5)c4c3)CC2)cc1.Cc1ccncc1-c1cnc2n[nH]c(-c3nc4ccccc4[nH]3)c2c1.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

The InChIKey is ZCXMQZSPTGEJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O.C26H25N9.C22H19N7O.C19H20N6O.C19H14N6/c1-17-6-8-18(9-7-17)16-34-12-10-20(11-13-34)29-27(35)19-14-21-24(32-33-25(21)28-15-19)26-30-22-4-2-3-5-23(22)31-26;1-4-27-9-18-10-28-12-20(16(18)3)17-8-19-23(33-34-25(19)29-11-17)26-31-21-6-5-7-22(24(21)32-26)35-13-15(2)30-14-35;1-12(2)22(30)25-15-7-13(9-23-11-15)14-8-16-19(28-29-20(16)24-10-14)21-26-17-5-3-4-6-18(17)27-21;1-3-12(4-2)21-19(26)11-9-13-16(24-25-17(13)20-10-11)18-22-14-7-5-6-8-15(14)23-18;1-11-6-7-20-10-14(11)12-8-13-17(24-25-18(13)21-9-12)19-22-15-4-2-3-5-16(15)23-19/h2-9,14-15,20H,10-13,16H2,1H3,(H,29,35)(H,30,31)(H,28,32,33);5-8,10-14,27H,4,9H2,1-3H3,(H,31,32)(H,29,33,34);3-12H,1-2H3,(H,25,30)(H,26,27)(H,24,28,29);5-10,12H,3-4H2,1-2H3,(H,21,26)(H,22,23)(H,20,24,25);2-10H,1H3,(H,22,23)(H,21,24,25).

What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 2001.32 g/mol, XLogP of 20.13, 22 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-(1H-benzimidazol-2-yl)-N-pentan-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[[4-methyl-5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 162085607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).