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

C22H20N2O3 — CID 118709551

IUPAC3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)c(OC)c4)c3c2)cc1
InChIInChI=1S/C22H20N2O3/c1-25-17-7-4-14(5-8-17)16-10-18-19(13-24-22(18)23-12-16)15-6-9-20(26-2)21(11-15)27-3/h4-13H,1-3H3,(H,23,24)
InChIKeyBLMJBIFYLHAJRU-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.92
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118709551) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID118709551
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)c(OC)c4)c3c2)cc1
InChIInChI=1S/C22H20N2O3/c1-25-17-7-4-14(5-8-17)16-10-18-19(13-24-22(18)23-12-16)15-6-9-20(26-2)21(11-15)27-3/h4-13H,1-3H3,(H,23,24)
InChIKeyBLMJBIFYLHAJRU-UHFFFAOYSA-N
XLogP4.92
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 118709551) is 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)c(OC)c4)c3c2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BLMJBIFYLHAJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-25-17-7-4-14(5-8-17)16-10-18-19(13-24-22(18)23-12-16)15-6-9-20(26-2)21(11-15)27-3/h4-13H,1-3H3,(H,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 360.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118709551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).