1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine

C23H21FN2O — CID 11504718

IUPAC1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine
SMILESCc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)ccnc12
InChIInChI=1S/C23H21FN2O/c1-16-17(2)26(14-18-6-4-3-5-7-18)23-21(12-13-25-22(16)23)27-15-19-8-10-20(24)11-9-19/h3-13H,14-15H2,1-2H3
InChIKeyNBZVRDXBXFXFNO-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.42
Rot. Bonds5

About 1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine

1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine (PubChem CID 11504718) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine
PubChem CID11504718
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine
SMILESCc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)ccnc12
InChIInChI=1S/C23H21FN2O/c1-16-17(2)26(14-18-6-4-3-5-7-18)23-21(12-13-25-22(16)23)27-15-19-8-10-20(24)11-9-19/h3-13H,14-15H2,1-2H3
InChIKeyNBZVRDXBXFXFNO-UHFFFAOYSA-N
XLogP5.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine (CID 11504718) is 1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine is Cc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)ccnc12.
What is the InChIKey of 1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The InChIKey is NBZVRDXBXFXFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-16-17(2)26(14-18-6-4-3-5-7-18)23-21(12-13-25-22(16)23)27-15-19-8-10-20(24)11-9-19/h3-13H,14-15H2,1-2H3.
What are the key properties of 1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine?
1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine has a molecular weight of 360.43 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11504718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).