6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine

C17H15BrN4 — CID 22477410

IUPAC6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESBrCCCn1cc(-c2cc3nccnc3[nH]2)c2ccccc21
InChIInChI=1S/C17H15BrN4/c18-6-3-9-22-11-13(12-4-1-2-5-16(12)22)14-10-15-17(21-14)20-8-7-19-15/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,20,21)
InChIKeyGXYKGJZXOCFTBB-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.36
Rot. Bonds4

About 6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine

6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 22477410) has the molecular formula C17H15BrN4 and a molecular weight of 355.24 g/mol. Its IUPAC name is 6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID22477410
Molecular FormulaC17H15BrN4
Molecular Weight355.24 g/mol
Exact Mass354.05
IUPAC Name6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESBrCCCn1cc(-c2cc3nccnc3[nH]2)c2ccccc21
InChIInChI=1S/C17H15BrN4/c18-6-3-9-22-11-13(12-4-1-2-5-16(12)22)14-10-15-17(21-14)20-8-7-19-15/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,20,21)
InChIKeyGXYKGJZXOCFTBB-UHFFFAOYSA-N
XLogP4.36
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine (CID 22477410) is 6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine is BrCCCn1cc(-c2cc3nccnc3[nH]2)c2ccccc21.
What is the InChIKey of 6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is GXYKGJZXOCFTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4/c18-6-3-9-22-11-13(12-4-1-2-5-16(12)22)14-10-15-17(21-14)20-8-7-19-15/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,20,21).
What are the key properties of 6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine?
6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 355.24 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-bromopropyl)indol-3-yl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 22477410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).