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

C26H20N2O — CID 59812098

IUPAC3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1
InChIInChI=1S/C26H20N2O/c1-18-11-13-19(14-12-18)24-17-28-26-23(24)15-20(16-27-26)22-9-5-6-10-25(22)29-21-7-3-2-4-8-21/h2-17H,1H3,(H,27,28)
InChIKeyAQJQRUJEBOECCZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP7.00
Rot. Bonds4

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

3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59812098) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59812098
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1
InChIInChI=1S/C26H20N2O/c1-18-11-13-19(14-12-18)24-17-28-26-23(24)15-20(16-27-26)22-9-5-6-10-25(22)29-21-7-3-2-4-8-21/h2-17H,1H3,(H,27,28)
InChIKeyAQJQRUJEBOECCZ-UHFFFAOYSA-N
XLogP7.00
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
CID 59811920
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021
3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118709501
2-methyl-5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
CID 158239036
5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161416992
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166699
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
CID 11515215
5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699789
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59811910
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 59812098) is 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is Cc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AQJQRUJEBOECCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c1-18-11-13-19(14-12-18)24-17-28-26-23(24)15-20(16-27-26)22-9-5-6-10-25(22)29-21-7-3-2-4-8-21/h2-17H,1H3,(H,27,28).
What are the key properties of 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 376.46 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59812098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).