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

C147H117B2Br2IN18O7 — CID 158764722

IUPAC2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid
SMILESBrc1cnc2c(n1)c(-c1cc3ccccc3[nH]1)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Brc1cnc2c(n1)c(I)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccccc5[nH]4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3c(n2)c(-c2cc4ccccc4[nH]2)cn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.C=CC(=O)Nc1cccc(B(O)O)c1.CC1(C)OB(C2=Cc3ccccc3C2)OC1(C)C
InChIInChI=1S/C42H31N5O.C33H23BrN4.C25H17BrIN3.C23H17N5O.C15H19BO2.C9H10BNO3/c1-2-39(48)44-34-23-14-16-29(25-34)38-27-43-41-40(46-38)35(37-26-30-15-12-13-24-36(30)45-37)28-47(41)42(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33;34-30-21-35-32-31(37-30)27(29-20-23-12-10-11-19-28(23)36-29)22-38(32)33(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26;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;1-2-21(29)26-16-8-5-7-14(10-16)20-13-25-23-22(28-20)17(12-24-23)19-11-15-6-3-4-9-18(15)27-19;1-14(2)15(3,4)18-16(17-14)13-9-11-7-5-6-8-12(11)10-13;1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-28,45H,1H2,(H,44,48);1-22,36H;1-17H;2-13,27H,1H2,(H,24,25)(H,26,29);5-9H,10H2,1-4H3;2-6,13-14H,1H2,(H,11,12)
InChIKeyIPCOSPQZZDXUPD-UHFFFAOYSA-N
MW2556.01 g/mol
LogP31.68
Rot. Bonds25

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

2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid (PubChem CID 158764722) has the molecular formula C147H117B2Br2IN18O7 and a molecular weight of 2556.01 g/mol. Its IUPAC name is 2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid.

Molecular Properties

Compound Name2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid
PubChem CID158764722
Molecular FormulaC147H117B2Br2IN18O7
Molecular Weight2556.01 g/mol
Exact Mass2552.70
IUPAC Name2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid
SMILESBrc1cnc2c(n1)c(-c1cc3ccccc3[nH]1)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Brc1cnc2c(n1)c(I)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccccc5[nH]4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3c(n2)c(-c2cc4ccccc4[nH]2)cn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.C=CC(=O)Nc1cccc(B(O)O)c1.CC1(C)OB(C2=Cc3ccccc3C2)OC1(C)C
InChIInChI=1S/C42H31N5O.C33H23BrN4.C25H17BrIN3.C23H17N5O.C15H19BO2.C9H10BNO3/c1-2-39(48)44-34-23-14-16-29(25-34)38-27-43-41-40(46-38)35(37-26-30-15-12-13-24-36(30)45-37)28-47(41)42(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33;34-30-21-35-32-31(37-30)27(29-20-23-12-10-11-19-28(23)36-29)22-38(32)33(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26;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;1-2-21(29)26-16-8-5-7-14(10-16)20-13-25-23-22(28-20)17(12-24-23)19-11-15-6-3-4-9-18(15)27-19;1-14(2)15(3,4)18-16(17-14)13-9-11-7-5-6-8-12(11)10-13;1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-28,45H,1H2,(H,44,48);1-22,36H;1-17H;2-13,27H,1H2,(H,24,25)(H,26,29);5-9H,10H2,1-4H3;2-6,13-14H,1H2,(H,11,12)
InChIKeyIPCOSPQZZDXUPD-UHFFFAOYSA-N
XLogP31.68
TPSA327.29 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002556.01
LogP ≤ 531.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

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'}

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

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Related Compounds

bis((E)-4-(dimethylamino)-N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide);(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)
CID 157535380
N-[3-[7-[6-[[3-[[2-bromo-7-(6-methyl-1H-indol-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]-diphenylmethyl]phenyl]methyl]-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
CID 138737840
N-[3-[7-[6-[[3-[(2-bromo-7-iodopyrrolo[2,3-b]pyrazin-5-yl)-diphenylmethyl]phenyl]methyl]-1H-indol-2-yl]-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
CID 139541595
CID 157340704
CID 157340704
CID 157683818
CID 157683818
CID 157825799
CID 157825799
CID 157903058
CID 157903058
6-bromo-N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-(4-fluoro-1H-indol-3-yl)ethanamine;N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;(5-fluoro-3-pyridinyl)boronic acid
CID 158103760
2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;5-bromo-3-iodo-1-tritylpyrazolo[3,4-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid
CID 158303388
5-bromo-3-iodo-1-tritylpyrazolo[3,4-b]pyrazine;5-bromo-3-(6-methyl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyrazine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyrazine;N-[3-[3-(6-methyl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyrazin-5-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 158314189
CID 158652859
CID 158652859
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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid?
The IUPAC name of 2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid (CID 158764722) is 2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid.
What is the SMILES notation for 2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid?
The canonical SMILES for 2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid is Brc1cnc2c(n1)c(-c1cc3ccccc3[nH]1)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Brc1cnc2c(n1)c(I)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccccc5[nH]4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3c(n2)c(-c2cc4ccccc4[nH]2)cn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.C=CC(=O)Nc1cccc(B(O)O)c1.CC1(C)OB(C2=Cc3ccccc3C2)OC1(C)C.
What is the InChIKey of 2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid?
The InChIKey is IPCOSPQZZDXUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N5O.C33H23BrN4.C25H17BrIN3.C23H17N5O.C15H19BO2.C9H10BNO3/c1-2-39(48)44-34-23-14-16-29(25-34)38-27-43-41-40(46-38)35(37-26-30-15-12-13-24-36(30)45-37)28-47(41)42(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33;34-30-21-35-32-31(37-30)27(29-20-23-12-10-11-19-28(23)36-29)22-38(32)33(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26;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;1-2-21(29)26-16-8-5-7-14(10-16)20-13-25-23-22(28-20)17(12-24-23)19-11-15-6-3-4-9-18(15)27-19;1-14(2)15(3,4)18-16(17-14)13-9-11-7-5-6-8-12(11)10-13;1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-28,45H,1H2,(H,44,48);1-22,36H;1-17H;2-13,27H,1H2,(H,24,25)(H,26,29);5-9H,10H2,1-4H3;2-6,13-14H,1H2,(H,11,12).
What are the key properties of 2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid?
2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid has a molecular weight of 2556.01 g/mol, XLogP of 31.68, 25 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine;2-bromo-7-iodo-5-tritylpyrrolo[2,3-b]pyrazine;2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5-tritylpyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid is sourced from PubChem (CID 158764722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).