3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione

C25H19BrN6O2 — CID 45268312

IUPAC3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(n2ccc3ncccc32)=C1c1cn(CCCn2ccnc2)c2cc(Br)ccc12
InChIInChI=1S/C25H19BrN6O2/c26-16-4-5-17-18(14-31(21(17)13-16)10-2-9-30-12-8-27-15-30)22-23(25(34)29-24(22)33)32-11-6-19-20(32)3-1-7-28-19/h1,3-8,11-15H,2,9-10H2,(H,29,33,34)
InChIKeyOXUZVGQBCQAWEF-UHFFFAOYSA-N
MW515.37 g/mol
LogP4.07
Rot. Bonds6

About 3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione

3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione (PubChem CID 45268312) has the molecular formula C25H19BrN6O2 and a molecular weight of 515.37 g/mol. Its IUPAC name is 3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione
PubChem CID45268312
Molecular FormulaC25H19BrN6O2
Molecular Weight515.37 g/mol
Exact Mass514.08
IUPAC Name3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(n2ccc3ncccc32)=C1c1cn(CCCn2ccnc2)c2cc(Br)ccc12
InChIInChI=1S/C25H19BrN6O2/c26-16-4-5-17-18(14-31(21(17)13-16)10-2-9-30-12-8-27-15-30)22-23(25(34)29-24(22)33)32-11-6-19-20(32)3-1-7-28-19/h1,3-8,11-15H,2,9-10H2,(H,29,33,34)
InChIKeyOXUZVGQBCQAWEF-UHFFFAOYSA-N
XLogP4.07
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione 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

Bromodeoxytopsentin
CID 400452
PKCbeta Inhibitor
CID 6419755
Dibromodeoxytopsentin
CID 11363725
3-(5-Bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
CID 71735028
3-(3-(1H-imidazol-1-yl)propyl)-8-bromo-3H-pyrimido[5,4-b]indol-4(5H)-one
CID 659780
4-Bromo-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 11800020
3-(1-Butylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 141451167
3-(1-Ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 141451170
3-[1-(3-Imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451182
Isobromodeoxytopsentin
CID 400453
3-(5-Bromo-1-(3-(1H-imidazol-1-yl)propyl)-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-b]pyridin-1-yl)-1H-pyrrole-2,5-dione
CID 44241613
3-(1,10-Diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrrole-2,5-dione
CID 44389463

Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione (CID 45268312) is 3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione is O=C1NC(=O)C(n2ccc3ncccc32)=C1c1cn(CCCn2ccnc2)c2cc(Br)ccc12.
What is the InChIKey of 3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione?
The InChIKey is OXUZVGQBCQAWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN6O2/c26-16-4-5-17-18(14-31(21(17)13-16)10-2-9-30-12-8-27-15-30)22-23(25(34)29-24(22)33)32-11-6-19-20(32)3-1-7-28-19/h1,3-8,11-15H,2,9-10H2,(H,29,33,34).
What are the key properties of 3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione?
3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione has a molecular weight of 515.37 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-pyrrolo[3,2-b]pyridin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 45268312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).