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

C19H16N2O2 — CID 10040716

IUPAC5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C19H16N2O2/c1-2-23-16-5-3-13(4-6-16)15-9-17-18(14-7-8-22-12-14)11-21-19(17)20-10-15/h3-12H,2H2,1H3,(H,20,21)
InChIKeyFJZLJANEVTWFJA-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.89
Rot. Bonds4

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

5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10040716) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID10040716
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C19H16N2O2/c1-2-23-16-5-3-13(4-6-16)15-9-17-18(14-7-8-22-12-14)11-21-19(17)20-10-15/h3-12H,2H2,1H3,(H,20,21)
InChIKeyFJZLJANEVTWFJA-UHFFFAOYSA-N
XLogP4.89
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 10040716) is 5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine is CCOc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FJZLJANEVTWFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-23-16-5-3-13(4-6-16)15-9-17-18(14-7-8-22-12-14)11-21-19(17)20-10-15/h3-12H,2H2,1H3,(H,20,21).
What are the key properties of 5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 304.35 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10040716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).