5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine

C21H18N2O2 — CID 59699998

IUPAC5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1OC
InChIInChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)16-10-17-18(13-23-21(17)22-12-16)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)
InChIKeyPTKRZXHHLCHSFE-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.91
Rot. Bonds4

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

5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59699998) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID59699998
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1OC
InChIInChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)16-10-17-18(13-23-21(17)22-12-16)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)
InChIKeyPTKRZXHHLCHSFE-UHFFFAOYSA-N
XLogP4.91
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 59699998) is 5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PTKRZXHHLCHSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)16-10-17-18(13-23-21(17)22-12-16)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 330.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59699998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).