2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide

C103H98N32O10S — CID 161062256

About 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide

2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide (PubChem CID 161062256) has the molecular formula C103H98N32O10S and a molecular weight of 1976.20 g/mol. Its IUPAC name is 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide
• PubChem CID: 161062256
• Molecular Formula: C103H98N32O10S
• Molecular Weight: 1976.20 g/mol
• Exact Mass: 1974.79
• IUPAC Name: 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide
• SMILES: CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CCN(C)CC6)c5)cc34)cc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCN(C)CC6)c5)cc34)cc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)cc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NS(C)(=O)=O)c5)cc34)cc12
• InChI: InChI=1S/C28H28N8O2.C27H27N9O2.C26H24N8O3.C22H19N7O3S/c1-29-28(38)20-4-3-5-23-21(20)12-24(33-23)25-22-11-18(14-31-26(22)35-34-25)17-10-19(15-30-13-17)32-27(37)16-6-8-36(2)9-7-16;1-28-26(37)19-4-3-5-22-20(19)12-23(32-22)24-21-11-17(14-30-25(21)34-33-24)16-10-18(15-29-13-16)31-27(38)36-8-6-35(2)7-9-36;1-27-25(35)18-3-2-4-21-19(18)11-22(31-21)23-20-10-16(13-29-24(20)33-32-23)15-9-17(14-28-12-15)30-26(36)34-5-7-37-8-6-34;1-23-22(30)15-4-3-5-18-16(15)8-19(26-18)20-17-7-13(10-25-21(17)28-27-20)12-6-14(11-24-9-12)29-33(2,31)32/h3-5,10-16,33H,6-9H2,1-2H3,(H,29,38)(H,32,37)(H,31,34,35);3-5,10-15,32H,6-9H2,1-2H3,(H,28,37)(H,31,38)(H,30,33,34);2-4,9-14,31H,5-8H2,1H3,(H,27,35)(H,30,36)(H,29,32,33);3-11,26,29H,1-2H3,(H,23,30)(H,25,27,28)
• InChIKey: UDNZQJTTZFOMNC-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 553.06 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1976.20
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide?

The IUPAC name of 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide (CID 161062256) is 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide.

What is the SMILES notation for 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide?

The canonical SMILES for 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide is CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CCN(C)CC6)c5)cc34)cc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCN(C)CC6)c5)cc34)cc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)cc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NS(C)(=O)=O)c5)cc34)cc12.

What is the InChIKey of 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide?

The InChIKey is UDNZQJTTZFOMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O2.C27H27N9O2.C26H24N8O3.C22H19N7O3S/c1-29-28(38)20-4-3-5-23-21(20)12-24(33-23)25-22-11-18(14-31-26(22)35-34-25)17-10-19(15-30-13-17)32-27(37)16-6-8-36(2)9-7-16;1-28-26(37)19-4-3-5-22-20(19)12-23(32-22)24-21-11-17(14-30-25(21)34-33-24)16-10-18(15-29-13-16)31-27(38)36-8-6-35(2)7-9-36;1-27-25(35)18-3-2-4-21-19(18)11-22(31-21)23-20-10-16(13-29-24(20)33-32-23)15-9-17(14-28-12-15)30-26(36)34-5-7-37-8-6-34;1-23-22(30)15-4-3-5-18-16(15)8-19(26-18)20-17-7-13(10-25-21(17)28-27-20)12-6-14(11-24-9-12)29-33(2,31)32/h3-5,10-16,33H,6-9H2,1-2H3,(H,29,38)(H,32,37)(H,31,34,35);3-5,10-15,32H,6-9H2,1-2H3,(H,28,37)(H,31,38)(H,30,33,34);2-4,9-14,31H,5-8H2,1H3,(H,27,35)(H,30,36)(H,29,32,33);3-11,26,29H,1-2H3,(H,23,30)(H,25,27,28).

What are the key properties of 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide?

2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide has a molecular weight of 1976.20 g/mol, XLogP of 13.41, 18 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 161062256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).