2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane

C157H128B2Br3I2N21O7 — CID 158809914

About 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane

2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane (PubChem CID 158809914) has the molecular formula C157H128B2Br3I2N21O7 and a molecular weight of 2936.03 g/mol. Its IUPAC name is 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158809914
• Molecular Formula: C157H128B2Br3I2N21O7
• Molecular Weight: 2936.03 g/mol
• Exact Mass: 2931.61
• IUPAC Name: 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cnc2[nH]cc(I)c2n1.Brc1cnc2c(n1)c(I)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(C)cc5[nH]4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3c(n2)c(-c2cc4ccc(C)cc4[nH]2)cn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.C=CC(=O)Nc1cccc(B(O)O)c1.Cc1ccc2c(c1)CC(B1OC(C)(C)C(C)(C)O1)=C2.Cc1ccc2cc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ncc(Br)nc34)[nH]c2c1
• InChI: InChI=1S/C43H33N5O.C34H25BrN4.C25H17BrIN3.C24H19N5O.C16H21BO2.C9H10BNO3.C6H3BrIN3/c1-3-40(49)45-35-21-13-14-30(25-35)39-27-44-42-41(47-39)36(38-26-31-23-22-29(2)24-37(31)46-38)28-48(42)43(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34;1-23-17-18-24-20-30(37-29(24)19-23)28-22-39(33-32(28)38-31(35)21-36-33)34(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;26-22-16-28-24-23(29-22)21(27)17-30(24)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-3-22(30)27-17-6-4-5-15(10-17)21-13-26-24-23(29-21)18(12-25-24)20-11-16-8-7-14(2)9-19(16)28-20;1-11-6-7-12-9-14(10-13(12)8-11)17-18-15(2,3)16(4,5)19-17;1-2-9(12)11-8-5-3-4-7(6-8)10(13)14;7-4-2-10-6-5(11-4)3(8)1-9-6/h3-28,46H,1H2,2H3,(H,45,49);2-22,37H,1H3;1-17H;3-13,28H,1H2,2H3,(H,25,26)(H,27,30);6-9H,10H2,1-5H3;2-6,13-14H,1H2,(H,11,12);1-2H,(H,9,10)
• InChIKey: IUNXCOIKSNEXTE-UHFFFAOYSA-N
• XLogP: 35.24
• TPSA: 368.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2936.03
LogP ≤ 5	35.24
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane (CID 158809914) is 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane is Brc1cnc2[nH]cc(I)c2n1.Brc1cnc2c(n1)c(I)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(C)cc5[nH]4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3c(n2)c(-c2cc4ccc(C)cc4[nH]2)cn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.C=CC(=O)Nc1cccc(B(O)O)c1.Cc1ccc2c(c1)CC(B1OC(C)(C)C(C)(C)O1)=C2.Cc1ccc2cc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ncc(Br)nc34)[nH]c2c1.

What is the InChIKey of 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane?

The InChIKey is IUNXCOIKSNEXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5O.C34H25BrN4.C25H17BrIN3.C24H19N5O.C16H21BO2.C9H10BNO3.C6H3BrIN3/c1-3-40(49)45-35-21-13-14-30(25-35)39-27-44-42-41(47-39)36(38-26-31-23-22-29(2)24-37(31)46-38)28-48(42)43(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34;1-23-17-18-24-20-30(37-29(24)19-23)28-22-39(33-32(28)38-31(35)21-36-33)34(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;26-22-16-28-24-23(29-22)21(27)17-30(24)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-3-22(30)27-17-6-4-5-15(10-17)21-13-26-24-23(29-21)18(12-25-24)20-11-16-8-7-14(2)9-19(16)28-20;1-11-6-7-12-9-14(10-13(12)8-11)17-18-15(2,3)16(4,5)19-17;1-2-9(12)11-8-5-3-4-7(6-8)10(13)14;7-4-2-10-6-5(11-4)3(8)1-9-6/h3-28,46H,1H2,2H3,(H,45,49);2-22,37H,1H3;1-17H;3-13,28H,1H2,2H3,(H,25,26)(H,27,30);6-9H,10H2,1-5H3;2-6,13-14H,1H2,(H,11,12);1-2H,(H,9,10).

What are the key properties of 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane?

2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2936.03 g/mol, XLogP of 35.24, 25 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(6-methyl-1H-inden-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158809914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).