5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine

C17H12BrN3 — CID 10246490

IUPAC5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2[nH]c(-c3cc[nH]c3)c(-c3ccccc3)c2c1
InChIInChI=1S/C17H12BrN3/c18-13-8-14-15(11-4-2-1-3-5-11)16(12-6-7-19-9-12)21-17(14)20-10-13/h1-10,19H,(H,20,21)
InChIKeyVBEZQKUCNAWRNC-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.99
Rot. Bonds2

About 5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10246490) has the molecular formula C17H12BrN3 and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID10246490
Molecular FormulaC17H12BrN3
Molecular Weight338.21 g/mol
Exact Mass337.02
IUPAC Name5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2[nH]c(-c3cc[nH]c3)c(-c3ccccc3)c2c1
InChIInChI=1S/C17H12BrN3/c18-13-8-14-15(11-4-2-1-3-5-11)16(12-6-7-19-9-12)21-17(14)20-10-13/h1-10,19H,(H,20,21)
InChIKeyVBEZQKUCNAWRNC-UHFFFAOYSA-N
XLogP4.99
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine 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 5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 10246490) is 5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is Brc1cnc2[nH]c(-c3cc[nH]c3)c(-c3ccccc3)c2c1.
What is the InChIKey of 5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VBEZQKUCNAWRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3/c18-13-8-14-15(11-4-2-1-3-5-11)16(12-6-7-19-9-12)21-17(14)20-10-13/h1-10,19H,(H,20,21).
What are the key properties of 5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 338.21 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-phenyl-2-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10246490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).