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

C21H18N2O2 — CID 118709543

IUPAC3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1OC
InChIInChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)18-13-23-21-17(18)10-16(12-22-21)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)
InChIKeyNDXSKCMEGUYTPF-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.91
Rot. Bonds4

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

3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118709543) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID118709543
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1OC
InChIInChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)18-13-23-21-17(18)10-16(12-22-21)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)
InChIKeyNDXSKCMEGUYTPF-UHFFFAOYSA-N
XLogP4.91
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethoxyphenyl)-5-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 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 118709543) is 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NDXSKCMEGUYTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)18-13-23-21-17(18)10-16(12-22-21)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 330.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118709543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).