N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

C127H96FN37O3 — CID 158690359

About N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 158690359) has the molecular formula C127H96FN37O3 and a molecular weight of 2207.42 g/mol. Its IUPAC name is N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 158690359
• Molecular Formula: C127H96FN37O3
• Molecular Weight: 2207.42 g/mol
• Exact Mass: 2205.85
• IUPAC Name: N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.Cc1ccncc1-c1cnc2n[nH]c(-c3nc4c(-c5cccnc5)cccc4[nH]3)c2c1.Cc1cn(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnccc6C)cc45)nc23)cn1
• InChI: InChI=1S/C27H20FN7O.C27H21N7O.C26H20N8O.C24H17N7.C23H18N8/c1-2-23(36)31-19-10-16(12-29-14-19)17-11-21-25(34-35-26(21)30-13-17)27-32-22-8-4-7-20(24(22)33-27)15-5-3-6-18(28)9-15;1-2-20(35)12-19-9-8-16(14-29-19)18-11-22-25(33-34-26(22)30-15-18)27-31-23-7-3-6-21(24(23)32-27)17-5-4-10-28-13-17;1-2-22(35)30-18-9-16(12-28-14-18)17-10-20-24(33-34-25(20)29-13-17)26-31-21-7-3-6-19(23(21)32-26)15-5-4-8-27-11-15;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;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/h3-14H,2H2,1H3,(H,31,36)(H,32,33)(H,30,34,35);3-11,13-15H,2,12H2,1H3,(H,31,32)(H,30,33,34);3-14H,2H2,1H3,(H,30,35)(H,31,32)(H,29,33,34);2-13H,1H3,(H,28,29)(H,27,30,31);3-12H,1-2H3,(H,27,28)(H,25,29,30)
• InChIKey: IGGOFKVHTODJPF-UHFFFAOYSA-N
• XLogP: 25.14
• TPSA: 547.46 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2207.42
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 158690359) is N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.Cc1ccncc1-c1cnc2n[nH]c(-c3nc4c(-c5cccnc5)cccc4[nH]3)c2c1.Cc1cn(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnccc6C)cc45)nc23)cn1.

What is the InChIKey of N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The InChIKey is IGGOFKVHTODJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN7O.C27H21N7O.C26H20N8O.C24H17N7.C23H18N8/c1-2-23(36)31-19-10-16(12-29-14-19)17-11-21-25(34-35-26(21)30-13-17)27-32-22-8-4-7-20(24(22)33-27)15-5-3-6-18(28)9-15;1-2-20(35)12-19-9-8-16(14-29-19)18-11-22-25(33-34-26(22)30-15-18)27-31-23-7-3-6-21(24(23)32-27)17-5-4-10-28-13-17;1-2-22(35)30-18-9-16(12-28-14-18)17-10-20-24(33-34-25(20)29-13-17)26-31-21-7-3-6-19(23(21)32-26)15-5-4-8-27-11-15;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;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/h3-14H,2H2,1H3,(H,31,36)(H,32,33)(H,30,34,35);3-11,13-15H,2,12H2,1H3,(H,31,32)(H,30,33,34);3-14H,2H2,1H3,(H,30,35)(H,31,32)(H,29,33,34);2-13H,1H3,(H,28,29)(H,27,30,31);3-12H,1-2H3,(H,27,28)(H,25,29,30).

What are the key properties of N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 2207.42 g/mol, XLogP of 25.14, 22 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-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;1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 158690359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).