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

C21H16F2N2O2 — CID 118709552

IUPAC5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cc(F)cc(F)c4)cc23)cc1OC
InChIInChI=1S/C21H16F2N2O2/c1-26-19-4-3-12(8-20(19)27-2)18-11-25-21-17(18)7-14(10-24-21)13-5-15(22)9-16(23)6-13/h3-11H,1-2H3,(H,24,25)
InChIKeyVAZZPGDOXAXWLA-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.19
Rot. Bonds4

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

5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118709552) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID118709552
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cc(F)cc(F)c4)cc23)cc1OC
InChIInChI=1S/C21H16F2N2O2/c1-26-19-4-3-12(8-20(19)27-2)18-11-25-21-17(18)7-14(10-24-21)13-5-15(22)9-16(23)6-13/h3-11H,1-2H3,(H,24,25)
InChIKeyVAZZPGDOXAXWLA-UHFFFAOYSA-N
XLogP5.19
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 118709552) is 5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2c[nH]c3ncc(-c4cc(F)cc(F)c4)cc23)cc1OC.
What is the InChIKey of 5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VAZZPGDOXAXWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c1-26-19-4-3-12(8-20(19)27-2)18-11-25-21-17(18)7-14(10-24-21)13-5-15(22)9-16(23)6-13/h3-11H,1-2H3,(H,24,25).
What are the key properties of 5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 366.37 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118709552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).