5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine

C20H16N2O — CID 72792684

IUPAC5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C20H16N2O/c1-23-17-9-7-14(8-10-17)16-11-18-19(13-22-20(18)21-12-16)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)
InChIKeyGGLHWAFNWWVJAK-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.91
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine

5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 72792684) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID72792684
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C20H16N2O/c1-23-17-9-7-14(8-10-17)16-11-18-19(13-22-20(18)21-12-16)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)
InChIKeyGGLHWAFNWWVJAK-UHFFFAOYSA-N
XLogP4.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-methoxyphenyl)-3-phenyl-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-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 72792684) is 5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GGLHWAFNWWVJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-17-9-7-14(8-10-17)16-11-18-19(13-22-20(18)21-12-16)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22).
What are the key properties of 5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 300.36 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 72792684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).