1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile

C143H132Br7FI2N36O6S2 — CID 159673305

About 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile

1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile (PubChem CID 159673305) has the molecular formula C143H132Br7FI2N36O6S2 and a molecular weight of 3347.14 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile.

Molecular Properties

• Compound Name: 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile
• PubChem CID: 159673305
• Molecular Formula: C143H132Br7FI2N36O6S2
• Molecular Weight: 3347.14 g/mol
• Exact Mass: 3338.29
• IUPAC Name: 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile
• SMILES: CC(C)(C)OC(=O)n1ccc2c(N3CCC(C#N)CC3)c(Br)cnc21.Cn1cc(-c2ccc(-c3c[nH]c4ncc(Br)c(N5CCC(C#N)CC5)c34)cc2)cn1.Cn1cc(-c2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(Br)c(N5CCC(C#N)CC5)c34)cc2)cn1.Cn1ncc2cc(-c3cnc4[nH]ccc4c3N3CCC(C#N)CC3)ccc21.Fc1c(Br)cnc2[nH]ccc12.N#CC1CCN(c2c(Br)cnc3[nH]cc(I)c23)CC1.N#CC1CCN(c2c(Br)cnc3[nH]ccc23)CC1.N#CC1CCN(c2c(Br)cnc3c2c(I)cn3S(=O)(=O)c2ccccc2)CC1
• InChI: InChI=1S/C29H25BrN6O2S.C23H21BrN6.C21H20N6.C19H16BrIN4O2S.C18H21BrN4O2.C13H12BrIN4.C13H13BrN4.C7H4BrFN2/c1-34-18-23(16-33-34)21-7-9-22(10-8-21)25-19-36(39(37,38)24-5-3-2-4-6-24)29-27(25)28(26(30)17-32-29)35-13-11-20(15-31)12-14-35;1-29-14-18(11-28-29)16-2-4-17(5-3-16)19-12-26-23-21(19)22(20(24)13-27-23)30-8-6-15(10-25)7-9-30;1-26-19-3-2-15(10-16(19)12-25-26)18-13-24-21-17(4-7-23-21)20(18)27-8-5-14(11-22)6-9-27;20-15-11-23-19-17(18(15)24-8-6-13(10-22)7-9-24)16(21)12-25(19)28(26,27)14-4-2-1-3-5-14;1-18(2,3)25-17(24)23-9-6-13-15(14(19)11-21-16(13)23)22-7-4-12(10-20)5-8-22;14-9-6-17-13-11(10(15)7-18-13)12(9)19-3-1-8(5-16)2-4-19;14-11-8-17-13-10(1-4-16-13)12(11)18-5-2-9(7-15)3-6-18;8-5-3-11-7-4(6(5)9)1-2-10-7/h2-10,16-20H,11-14H2,1H3;2-5,11-15H,6-9H2,1H3,(H,26,27);2-4,7,10,12-14H,5-6,8-9H2,1H3,(H,23,24);1-5,11-13H,6-9H2;6,9,11-12H,4-5,7-8H2,1-3H3;6-8H,1-4H2,(H,17,18);1,4,8-9H,2-3,5-6H2,(H,16,17);1-3H,(H,10,11)
• InChIKey: MUGROJAWXDWREP-UHFFFAOYSA-N
• XLogP: 32.73
• TPSA: 534.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 16
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3347.14
LogP ≤ 5	32.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile?

The IUPAC name of 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile (CID 159673305) is 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile.

What is the SMILES notation for 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile?

The canonical SMILES for 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile is CC(C)(C)OC(=O)n1ccc2c(N3CCC(C#N)CC3)c(Br)cnc21.Cn1cc(-c2ccc(-c3c[nH]c4ncc(Br)c(N5CCC(C#N)CC5)c34)cc2)cn1.Cn1cc(-c2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(Br)c(N5CCC(C#N)CC5)c34)cc2)cn1.Cn1ncc2cc(-c3cnc4[nH]ccc4c3N3CCC(C#N)CC3)ccc21.Fc1c(Br)cnc2[nH]ccc12.N#CC1CCN(c2c(Br)cnc3[nH]cc(I)c23)CC1.N#CC1CCN(c2c(Br)cnc3[nH]ccc23)CC1.N#CC1CCN(c2c(Br)cnc3c2c(I)cn3S(=O)(=O)c2ccccc2)CC1.

What is the InChIKey of 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile?

The InChIKey is MUGROJAWXDWREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25BrN6O2S.C23H21BrN6.C21H20N6.C19H16BrIN4O2S.C18H21BrN4O2.C13H12BrIN4.C13H13BrN4.C7H4BrFN2/c1-34-18-23(16-33-34)21-7-9-22(10-8-21)25-19-36(39(37,38)24-5-3-2-4-6-24)29-27(25)28(26(30)17-32-29)35-13-11-20(15-31)12-14-35;1-29-14-18(11-28-29)16-2-4-17(5-3-16)19-12-26-23-21(19)22(20(24)13-27-23)30-8-6-15(10-25)7-9-30;1-26-19-3-2-15(10-16(19)12-25-26)18-13-24-21-17(4-7-23-21)20(18)27-8-5-14(11-22)6-9-27;20-15-11-23-19-17(18(15)24-8-6-13(10-22)7-9-24)16(21)12-25(19)28(26,27)14-4-2-1-3-5-14;1-18(2,3)25-17(24)23-9-6-13-15(14(19)11-21-16(13)23)22-7-4-12(10-20)5-8-22;14-9-6-17-13-11(10(15)7-18-13)12(9)19-3-1-8(5-16)2-4-19;14-11-8-17-13-10(1-4-16-13)12(11)18-5-2-9(7-15)3-6-18;8-5-3-11-7-4(6(5)9)1-2-10-7/h2-10,16-20H,11-14H2,1H3;2-5,11-15H,6-9H2,1H3,(H,26,27);2-4,7,10,12-14H,5-6,8-9H2,1H3,(H,23,24);1-5,11-13H,6-9H2;6,9,11-12H,4-5,7-8H2,1-3H3;6-8H,1-4H2,(H,17,18);1,4,8-9H,2-3,5-6H2,(H,16,17);1-3H,(H,10,11).

What are the key properties of 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile?

1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile has a molecular weight of 3347.14 g/mol, XLogP of 32.73, 16 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-[1-(benzenesulfonyl)-5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;1-[5-bromo-3-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carbonitrile;tert-butyl 5-bromo-4-(4-cyanopiperidin-1-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;1-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 159673305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).