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

C22H20N2O2 — CID 118709501

IUPAC3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cccc(C)c4)cc23)cc1OC
InChIInChI=1S/C22H20N2O2/c1-14-5-4-6-15(9-14)17-10-18-19(13-24-22(18)23-12-17)16-7-8-20(25-2)21(11-16)26-3/h4-13H,1-3H3,(H,23,24)
InChIKeyHNGSJXZYXQEDOC-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.22
Rot. Bonds4

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

3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118709501) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID118709501
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cccc(C)c4)cc23)cc1OC
InChIInChI=1S/C22H20N2O2/c1-14-5-4-6-15(9-14)17-10-18-19(13-24-22(18)23-12-17)16-7-8-20(25-2)21(11-16)26-3/h4-13H,1-3H3,(H,23,24)
InChIKeyHNGSJXZYXQEDOC-UHFFFAOYSA-N
XLogP5.22
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 118709501) is 3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2c[nH]c3ncc(-c4cccc(C)c4)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HNGSJXZYXQEDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14-5-4-6-15(9-14)17-10-18-19(13-24-22(18)23-12-17)16-7-8-20(25-2)21(11-16)26-3/h4-13H,1-3H3,(H,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 344.41 g/mol, XLogP of 5.22, 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-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118709501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).