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

C18H14N2O2 — CID 10379453

IUPAC3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1
InChIInChI=1S/C18H14N2O2/c1-21-15-4-2-3-12(7-15)14-8-16-17(13-5-6-22-11-13)10-20-18(16)19-9-14/h2-11H,1H3,(H,19,20)
InChIKeySUNCTNNKHIXTAS-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.50
Rot. Bonds3

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

3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10379453) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID10379453
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1
InChIInChI=1S/C18H14N2O2/c1-21-15-4-2-3-12(7-15)14-8-16-17(13-5-6-22-11-13)10-20-18(16)19-9-14/h2-11H,1H3,(H,19,20)
InChIKeySUNCTNNKHIXTAS-UHFFFAOYSA-N
XLogP4.50
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.50
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-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 10379453) is 3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.
What is the InChIKey of 3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SUNCTNNKHIXTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-21-15-4-2-3-12(7-15)14-8-16-17(13-5-6-22-11-13)10-20-18(16)19-9-14/h2-11H,1H3,(H,19,20).
What are the key properties of 3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 290.32 g/mol, XLogP of 4.50, 3 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-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10379453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).