1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine

C23H21ClN2O — CID 11538092

IUPAC1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(Cl)cc3)nccc12
InChIInChI=1S/C23H21ClN2O/c1-16-17(2)26(14-18-6-4-3-5-7-18)22-21(16)12-13-25-23(22)27-15-19-8-10-20(24)11-9-19/h3-13H,14-15H2,1-2H3
InChIKeyLXBXBMCSTNSJQD-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.93
Rot. Bonds5

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

1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 11538092) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID11538092
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(Cl)cc3)nccc12
InChIInChI=1S/C23H21ClN2O/c1-16-17(2)26(14-18-6-4-3-5-7-18)22-21(16)12-13-25-23(22)27-15-19-8-10-20(24)11-9-19/h3-13H,14-15H2,1-2H3
InChIKeyLXBXBMCSTNSJQD-UHFFFAOYSA-N
XLogP5.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 11538092) is 1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine is Cc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(Cl)cc3)nccc12.
What is the InChIKey of 1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is LXBXBMCSTNSJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-16-17(2)26(14-18-6-4-3-5-7-18)22-21(16)12-13-25-23(22)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-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
1-benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 376.89 g/mol, XLogP of 5.93, 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-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11538092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).