5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C23H22N2O — CID 160540160

IUPAC5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccc(-c2cc3cc(-c4ccc(C)c(C)c4)cnc3[nH]2)cc1
InChIInChI=1S/C23H22N2O/c1-4-26-21-9-7-17(8-10-21)22-13-19-12-20(14-24-23(19)25-22)18-6-5-15(2)16(3)11-18/h5-14H,4H2,1-3H3,(H,24,25)
InChIKeyZXQGUALZUPGHNQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.91
Rot. Bonds4

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

5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 160540160) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID160540160
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccc(-c2cc3cc(-c4ccc(C)c(C)c4)cnc3[nH]2)cc1
InChIInChI=1S/C23H22N2O/c1-4-26-21-9-7-17(8-10-21)22-13-19-12-20(14-24-23(19)25-22)18-6-5-15(2)16(3)11-18/h5-14H,4H2,1-3H3,(H,24,25)
InChIKeyZXQGUALZUPGHNQ-UHFFFAOYSA-N
XLogP5.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 160540160) is 5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is CCOc1ccc(-c2cc3cc(-c4ccc(C)c(C)c4)cnc3[nH]2)cc1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZXQGUALZUPGHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-4-26-21-9-7-17(8-10-21)22-13-19-12-20(14-24-23(19)25-22)18-6-5-15(2)16(3)11-18/h5-14H,4H2,1-3H3,(H,24,25).
What are the key properties of 5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 342.44 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160540160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).