N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

C122H111N39O11 — CID 157320960

About N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 157320960) has the molecular formula C122H111N39O11 and a molecular weight of 2299.49 g/mol. Its IUPAC name is N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 157320960
• Molecular Formula: C122H111N39O11
• Molecular Weight: 2299.49 g/mol
• Exact Mass: 2297.93
• IUPAC Name: N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)NC)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cccc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)NC)cccc5[nH]4)c3c2)c1.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C(C)C)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)CC(C)C)c5)cc34)nc12
• InChI: InChI=1S/C26H24N8O3.C25H24N8O2.C24H22N8O2.C24H21N7O2.C23H20N8O2/c1-2-21(35)29-17-10-15(12-27-14-17)16-11-19-23(32-33-24(19)28-13-16)25-30-20-5-3-4-18(22(20)31-25)26(36)34-6-8-37-9-7-34;1-13(2)7-20(34)29-16-8-14(10-27-12-16)15-9-18-22(32-33-23(18)28-11-15)24-30-19-6-4-5-17(21(19)31-24)25(35)26-3;1-12(2)23(33)28-15-7-13(9-26-11-15)14-8-17-20(31-32-21(17)27-10-14)22-29-18-6-4-5-16(19(18)30-22)24(34)25-3;1-3-16(32)10-15-8-7-13(11-26-15)14-9-18-21(30-31-22(18)27-12-14)23-28-19-6-4-5-17(20(19)29-23)24(33)25-2;1-3-18(32)27-14-7-12(9-25-11-14)13-8-16-20(30-31-21(16)26-10-13)22-28-17-6-4-5-15(19(17)29-22)23(33)24-2/h3-5,10-14H,2,6-9H2,1H3,(H,29,35)(H,30,31)(H,28,32,33);4-6,8-13H,7H2,1-3H3,(H,26,35)(H,29,34)(H,30,31)(H,28,32,33);4-12H,1-3H3,(H,25,34)(H,28,33)(H,29,30)(H,27,31,32);4-9,11-12H,3,10H2,1-2H3,(H,25,33)(H,28,29)(H,27,30,31);4-11H,3H2,1-2H3,(H,24,33)(H,27,32)(H,28,29)(H,26,30,31)
• InChIKey: BEDPRXWWDDDNGE-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 695.11 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2299.49
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 157320960) is N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)NC)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cccc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)NC)cccc5[nH]4)c3c2)c1.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C(C)C)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)CC(C)C)c5)cc34)nc12.

What is the InChIKey of N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The InChIKey is BEDPRXWWDDDNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O3.C25H24N8O2.C24H22N8O2.C24H21N7O2.C23H20N8O2/c1-2-21(35)29-17-10-15(12-27-14-17)16-11-19-23(32-33-24(19)28-13-16)25-30-20-5-3-4-18(22(20)31-25)26(36)34-6-8-37-9-7-34;1-13(2)7-20(34)29-16-8-14(10-27-12-16)15-9-18-22(32-33-23(18)28-11-15)24-30-19-6-4-5-17(21(19)31-24)25(35)26-3;1-12(2)23(33)28-15-7-13(9-26-11-15)14-8-17-20(31-32-21(17)27-10-14)22-29-18-6-4-5-16(19(18)30-22)24(34)25-3;1-3-16(32)10-15-8-7-13(11-26-15)14-9-18-21(30-31-22(18)27-12-14)23-28-19-6-4-5-17(20(19)29-23)24(33)25-2;1-3-18(32)27-14-7-12(9-25-11-14)13-8-16-20(30-31-21(16)26-10-13)22-28-17-6-4-5-15(19(17)29-22)23(33)24-2/h3-5,10-14H,2,6-9H2,1H3,(H,29,35)(H,30,31)(H,28,32,33);4-6,8-13H,7H2,1-3H3,(H,26,35)(H,29,34)(H,30,31)(H,28,32,33);4-12H,1-3H3,(H,25,34)(H,28,33)(H,29,30)(H,27,31,32);4-9,11-12H,3,10H2,1-2H3,(H,25,33)(H,28,29)(H,27,30,31);4-11H,3H2,1-2H3,(H,24,33)(H,27,32)(H,28,29)(H,26,30,31).

What are the key properties of N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 2299.49 g/mol, XLogP of 17.52, 27 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 157320960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).