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

C20H16N2O — CID 72792688

IUPAC5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1cnc2[nH]cc(-c3ccccc3)c2c1
InChIInChI=1S/C20H16N2O/c1-23-19-10-6-5-9-16(19)15-11-17-18(13-22-20(17)21-12-15)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22)
InChIKeyWLSORYWMNHIFJW-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.91
Rot. Bonds3

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

5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 72792688) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID72792688
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1cnc2[nH]cc(-c3ccccc3)c2c1
InChIInChI=1S/C20H16N2O/c1-23-19-10-6-5-9-16(19)15-11-17-18(13-22-20(17)21-12-15)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22)
InChIKeyWLSORYWMNHIFJW-UHFFFAOYSA-N
XLogP4.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 72792688) is 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1cnc2[nH]cc(-c3ccccc3)c2c1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WLSORYWMNHIFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-19-10-6-5-9-16(19)15-11-17-18(13-22-20(17)21-12-15)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22).
What are the key properties of 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 300.36 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 72792688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).