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

C20H18N2O2 — CID 10336022

IUPAC3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCCOc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C20H18N2O2/c1-2-8-24-19-6-4-3-5-16(19)15-10-17-18(14-7-9-23-13-14)12-22-20(17)21-11-15/h3-7,9-13H,2,8H2,1H3,(H,21,22)
InChIKeyXYRUOSNXHOKUJK-UHFFFAOYSA-N
MW318.38 g/mol
LogP5.28
Rot. Bonds5

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

3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10336022) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID10336022
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCCOc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C20H18N2O2/c1-2-8-24-19-6-4-3-5-16(19)15-10-17-18(14-7-9-23-13-14)12-22-20(17)21-11-15/h3-7,9-13H,2,8H2,1H3,(H,21,22)
InChIKeyXYRUOSNXHOKUJK-UHFFFAOYSA-N
XLogP5.28
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 10336022) is 3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is CCCOc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.
What is the InChIKey of 3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XYRUOSNXHOKUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-2-8-24-19-6-4-3-5-16(19)15-10-17-18(14-7-9-23-13-14)12-22-20(17)21-11-15/h3-7,9-13H,2,8H2,1H3,(H,21,22).
What are the key properties of 3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 318.38 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10336022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).