N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

C99H82N32O6S — CID 159270779

About N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 159270779) has the molecular formula C99H82N32O6S and a molecular weight of 1848.03 g/mol. Its IUPAC name is N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
• PubChem CID: 159270779
• Molecular Formula: C99H82N32O6S
• Molecular Weight: 1848.03 g/mol
• Exact Mass: 1846.68
• IUPAC Name: N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
• SMILES: [C-]#[N+]c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CCN(C)CC6)c5)cc34)cc12.[C-]#[N+]c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCN(C)CC6)c5)cc34)cc12.[C-]#[N+]c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)cc12.[C-]#[N+]c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NS(C)(=O)=O)c5)cc34)cc12
• InChI: InChI=1S/C27H24N8O.C26H23N9O.C25H20N8O2.C21H15N7O2S/c1-28-22-4-3-5-23-20(22)12-24(32-23)25-21-11-18(14-30-26(21)34-33-25)17-10-19(15-29-13-17)31-27(36)16-6-8-35(2)9-7-16;1-27-21-4-3-5-22-19(21)12-23(31-22)24-20-11-17(14-29-25(20)33-32-24)16-10-18(15-28-13-16)30-26(36)35-8-6-34(2)7-9-35;1-26-20-3-2-4-21-18(20)11-22(30-21)23-19-10-16(13-28-24(19)32-31-23)15-9-17(14-27-12-15)29-25(34)33-5-7-35-8-6-33;1-22-17-4-3-5-18-15(17)8-19(25-18)20-16-7-13(10-24-21(16)27-26-20)12-6-14(11-23-9-12)28-31(2,29)30/h3-5,10-16,32H,6-9H2,2H3,(H,31,36)(H,30,33,34);3-5,10-15,31H,6-9H2,2H3,(H,30,36)(H,29,32,33);2-4,9-14,30H,5-8H2,(H,29,34)(H,28,31,32);3-11,25,28H,2H3,(H,24,26,27)
• InChIKey: KXRLCCHGRDMWLK-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 454.10 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1848.03
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

The IUPAC name of N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (CID 159270779) is N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

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

What is the InChIKey of N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

The InChIKey is KXRLCCHGRDMWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O.C26H23N9O.C25H20N8O2.C21H15N7O2S/c1-28-22-4-3-5-23-20(22)12-24(32-23)25-21-11-18(14-30-26(21)34-33-25)17-10-19(15-29-13-17)31-27(36)16-6-8-35(2)9-7-16;1-27-21-4-3-5-22-19(21)12-23(31-22)24-20-11-17(14-29-25(20)33-32-24)16-10-18(15-28-13-16)30-26(36)35-8-6-34(2)7-9-35;1-26-20-3-2-4-21-18(20)11-22(30-21)23-19-10-16(13-28-24(19)32-31-23)15-9-17(14-27-12-15)29-25(34)33-5-7-35-8-6-33;1-22-17-4-3-5-18-15(17)8-19(25-18)20-16-7-13(10-24-21(16)27-26-20)12-6-14(11-23-9-12)28-31(2,29)30/h3-5,10-16,32H,6-9H2,2H3,(H,31,36)(H,30,33,34);3-5,10-15,31H,6-9H2,2H3,(H,30,36)(H,29,32,33);2-4,9-14,30H,5-8H2,(H,29,34)(H,28,31,32);3-11,25,28H,2H3,(H,24,26,27).

What are the key properties of N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 1848.03 g/mol, XLogP of 18.17, 14 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(4-isocyano-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 159270779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).