7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine

C20H23ClN2O — CID 11695845

IUPAC7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC(C)C)c2c(OCc3ccc(Cl)cc3)nccc12
InChIInChI=1S/C20H23ClN2O/c1-13(2)11-23-15(4)14(3)18-9-10-22-20(19(18)23)24-12-16-5-7-17(21)8-6-16/h5-10,13H,11-12H2,1-4H3
InChIKeyGWSBFWULNWZQBG-UHFFFAOYSA-N
MW342.87 g/mol
LogP5.54
Rot. Bonds5

About 7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine

7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine (PubChem CID 11695845) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
PubChem CID11695845
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC(C)C)c2c(OCc3ccc(Cl)cc3)nccc12
InChIInChI=1S/C20H23ClN2O/c1-13(2)11-23-15(4)14(3)18-9-10-22-20(19(18)23)24-12-16-5-7-17(21)8-6-16/h5-10,13H,11-12H2,1-4H3
InChIKeyGWSBFWULNWZQBG-UHFFFAOYSA-N
XLogP5.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine (CID 11695845) is 7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine is Cc1c(C)n(CC(C)C)c2c(OCc3ccc(Cl)cc3)nccc12.
What is the InChIKey of 7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine?
The InChIKey is GWSBFWULNWZQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-13(2)11-23-15(4)14(3)18-9-10-22-20(19(18)23)24-12-16-5-7-17(21)8-6-16/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine?
7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine has a molecular weight of 342.87 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11695845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).