3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole

C34H24Br2F3N5O2 — CID 158708634

IUPAC3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole
SMILESCN1C(=O)C(Br)=C(Br)C1=O.Cn1cc(-c2c[nH]c3ccc(F)cc23)c(-c2c[nH]c3ccc(F)cc23)c1.Fc1ccc2[nH]ccc2c1
InChIInChI=1S/C21H15F2N3.C8H6FN.C5H3Br2NO2/c1-26-10-18(16-8-24-20-4-2-12(22)6-14(16)20)19(11-26)17-9-25-21-5-3-13(23)7-15(17)21;9-7-1-2-8-6(5-7)3-4-10-8;1-8-4(9)2(6)3(7)5(8)10/h2-11,24-25H,1H3;1-5,10H;1H3
InChIKeyIIKZYURLGAJPQN-UHFFFAOYSA-N
MW751.40 g/mol
LogP8.89
Rot. Bonds2

About 3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole

3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole (PubChem CID 158708634) has the molecular formula C34H24Br2F3N5O2 and a molecular weight of 751.40 g/mol. Its IUPAC name is 3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole.

Molecular Properties

Compound Name3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole
PubChem CID158708634
Molecular FormulaC34H24Br2F3N5O2
Molecular Weight751.40 g/mol
Exact Mass749.02
IUPAC Name3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole
SMILESCN1C(=O)C(Br)=C(Br)C1=O.Cn1cc(-c2c[nH]c3ccc(F)cc23)c(-c2c[nH]c3ccc(F)cc23)c1.Fc1ccc2[nH]ccc2c1
InChIInChI=1S/C21H15F2N3.C8H6FN.C5H3Br2NO2/c1-26-10-18(16-8-24-20-4-2-12(22)6-14(16)20)19(11-26)17-9-25-21-5-3-13(23)7-15(17)21;9-7-1-2-8-6(5-7)3-4-10-8;1-8-4(9)2(6)3(7)5(8)10/h2-11,24-25H,1H3;1-5,10H;1H3
InChIKeyIIKZYURLGAJPQN-UHFFFAOYSA-N
XLogP8.89
TPSA89.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.40
LogP ≤ 58.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bisindolylmaleimide II
CID 2397
3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione
CID 448642
3-(1H-indol-3-yl)-4-(1-(2-((2S)-1-methylpyrrolidinyl)ethyl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 448943
3-(6-fluoro-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5330707
1-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 72197474
N-[2-[2-[[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-(1H-indol-3-yl)methyl]-6-bromo-1H-indol-3-yl]ethyl]-2,2,2-trifluoroacetamide
CID 44454669
3-(1H-indol-3-yl)-1-[2-[3-[2-[3-(1H-indol-3-yl)-4-(1-methylpyrrol-2-yl)-2,5-dioxopyrrol-1-yl]ethylamino]propylamino]ethyl]-4-(1-methylpyrrol-2-yl)pyrrole-2,5-dione
CID 56661899
5-(2-(1H-indol-3-yl)ethyl)-1-(4-fluorobenzyl)-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 1494838
3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione
CID 167077521
N-{2-[2,2-Di(1H-indol-3-yl)ethyl]phenyl}acetamide
CID 12377670
1-[3-[(6S,10R)-6-(1H-indol-3-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-yl]indol-1-yl]ethanone
CID 127038396
1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone
CID 127039517

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole?
The IUPAC name of 3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole (CID 158708634) is 3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole.
What is the SMILES notation for 3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole?
The canonical SMILES for 3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole is CN1C(=O)C(Br)=C(Br)C1=O.Cn1cc(-c2c[nH]c3ccc(F)cc23)c(-c2c[nH]c3ccc(F)cc23)c1.Fc1ccc2[nH]ccc2c1.
What is the InChIKey of 3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole?
The InChIKey is IIKZYURLGAJPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3.C8H6FN.C5H3Br2NO2/c1-26-10-18(16-8-24-20-4-2-12(22)6-14(16)20)19(11-26)17-9-25-21-5-3-13(23)7-15(17)21;9-7-1-2-8-6(5-7)3-4-10-8;1-8-4(9)2(6)3(7)5(8)10/h2-11,24-25H,1H3;1-5,10H;1H3.
What are the key properties of 3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole?
3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole has a molecular weight of 751.40 g/mol, XLogP of 8.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1-methylpyrrole-2,5-dione;5-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1H-indole;5-fluoro-1H-indole is sourced from PubChem (CID 158708634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).