bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine

C117H87BF6I3N21O14S3 — CID 158099458

About bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine

bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine (PubChem CID 158099458) has the molecular formula C117H87BF6I3N21O14S3 and a molecular weight of 2612.83 g/mol. Its IUPAC name is bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

• Compound Name: bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine
• PubChem CID: 158099458
• Molecular Formula: C117H87BF6I3N21O14S3
• Molecular Weight: 2612.83 g/mol
• Exact Mass: 2611.30
• IUPAC Name: bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine
• SMILES: Ic1c[nH]c2nccnc12.O=C(CCc1cccc(-c2c[nH]c3nccnc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(CCc1cccc(-c2cn(S(=O)(=O)c3ccccc3)c3nccnc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(CCc1cccc(B(O)O)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=S(=O)(c1ccccc1)n1cc(I)c2nccnc21.O=S(=O)(c1ccccc1)n1cc(I)c2nccnc21.c1cnc2[nH]ccc2n1
• InChI: InChI=1S/C33H24F2N4O4S.C27H20F2N4O2.C21H18BF2NO4.2C12H8IN3O2S.C6H4IN3.C6H5N3/c34-28-13-11-23(19-29(28)35)20-38-17-5-10-26(33(38)41)30(40)14-12-22-6-4-7-24(18-22)27-21-39(32-31(27)36-15-16-37-32)44(42,43)25-8-2-1-3-9-25;28-22-8-6-18(14-23(22)29)16-33-12-2-5-20(27(33)35)24(34)9-7-17-3-1-4-19(13-17)21-15-32-26-25(21)30-10-11-31-26;23-18-8-6-15(12-19(18)24)13-25-10-2-5-17(21(25)27)20(26)9-7-14-3-1-4-16(11-14)22(28)29;2*13-10-8-16(12-11(10)14-6-7-15-12)19(17,18)9-4-2-1-3-5-9;7-4-3-10-6-5(4)8-1-2-9-6;1-2-8-6-5(1)7-3-4-9-6/h1-11,13,15-19,21H,12,14,20H2;1-6,8,10-15H,7,9,16H2,(H,31,32);1-6,8,10-12,28-29H,7,9,13H2;2*1-8H;1-3H,(H,9,10);1-4H,(H,8,9)
• InChIKey: FPBUIDNZECOHLF-UHFFFAOYSA-N
• XLogP: 19.30
• TPSA: 476.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2612.83
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine?

The IUPAC name of bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine (CID 158099458) is bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine.

What is the SMILES notation for bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine?

The canonical SMILES for bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine is Ic1c[nH]c2nccnc12.O=C(CCc1cccc(-c2c[nH]c3nccnc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(CCc1cccc(-c2cn(S(=O)(=O)c3ccccc3)c3nccnc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(CCc1cccc(B(O)O)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=S(=O)(c1ccccc1)n1cc(I)c2nccnc21.O=S(=O)(c1ccccc1)n1cc(I)c2nccnc21.c1cnc2[nH]ccc2n1.

What is the InChIKey of bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine?

The InChIKey is FPBUIDNZECOHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F2N4O4S.C27H20F2N4O2.C21H18BF2NO4.2C12H8IN3O2S.C6H4IN3.C6H5N3/c34-28-13-11-23(19-29(28)35)20-38-17-5-10-26(33(38)41)30(40)14-12-22-6-4-7-24(18-22)27-21-39(32-31(27)36-15-16-37-32)44(42,43)25-8-2-1-3-9-25;28-22-8-6-18(14-23(22)29)16-33-12-2-5-20(27(33)35)24(34)9-7-17-3-1-4-19(13-17)21-15-32-26-25(21)30-10-11-31-26;23-18-8-6-15(12-19(18)24)13-25-10-2-5-17(21(25)27)20(26)9-7-14-3-1-4-16(11-14)22(28)29;2*13-10-8-16(12-11(10)14-6-7-15-12)19(17,18)9-4-2-1-3-5-9;7-4-3-10-6-5(4)8-1-2-9-6;1-2-8-6-5(1)7-3-4-9-6/h1-11,13,15-19,21H,12,14,20H2;1-6,8,10-15H,7,9,16H2,(H,31,32);1-6,8,10-12,28-29H,7,9,13H2;2*1-8H;1-3H,(H,9,10);1-4H,(H,8,9).

What are the key properties of bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine?

bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 2612.83 g/mol, XLogP of 19.30, 27 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-(benzenesulfonyl)-7-iodopyrrolo[2,3-b]pyrazine);3-[3-[3-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]boronic acid;1-[(3,4-difluorophenyl)methyl]-3-[3-[3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)phenyl]propanoyl]pyridin-2-one;7-iodo-5H-pyrrolo[2,3-b]pyrazine;5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 158099458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).