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

C18H14N2O — CID 10378643

IUPAC3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C18H14N2O/c1-12-2-4-13(5-3-12)15-8-16-17(14-6-7-21-11-14)10-20-18(16)19-9-15/h2-11H,1H3,(H,19,20)
InChIKeyQXODZPZVZKYXSB-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.80
Rot. Bonds2

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

3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10378643) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID10378643
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C18H14N2O/c1-12-2-4-13(5-3-12)15-8-16-17(14-6-7-21-11-14)10-20-18(16)19-9-15/h2-11H,1H3,(H,19,20)
InChIKeyQXODZPZVZKYXSB-UHFFFAOYSA-N
XLogP4.80
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 10378643) is 3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is Cc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.
What is the InChIKey of 3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QXODZPZVZKYXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-12-2-4-13(5-3-12)15-8-16-17(14-6-7-21-11-14)10-20-18(16)19-9-15/h2-11H,1H3,(H,19,20).
What are the key properties of 3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 274.32 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10378643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).