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

C19H16N2O — CID 59811910

IUPAC5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(C)c(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1
InChIInChI=1S/C19H16N2O/c1-12-3-4-13(2)16(7-12)15-8-17-18(14-5-6-22-11-14)10-21-19(17)20-9-15/h3-11H,1-2H3,(H,20,21)
InChIKeyNOFJAMVVJAJOSR-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.11
Rot. Bonds2

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

5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59811910) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59811910
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(C)c(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1
InChIInChI=1S/C19H16N2O/c1-12-3-4-13(2)16(7-12)15-8-17-18(14-5-6-22-11-14)10-21-19(17)20-9-15/h3-11H,1-2H3,(H,20,21)
InChIKeyNOFJAMVVJAJOSR-UHFFFAOYSA-N
XLogP5.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 59811910) is 5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1ccc(C)c(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NOFJAMVVJAJOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-12-3-4-13(2)16(7-12)15-8-17-18(14-5-6-22-11-14)10-21-19(17)20-9-15/h3-11H,1-2H3,(H,20,21).
What are the key properties of 5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 288.35 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59811910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).