1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride

C24H24ClFN2O — CID 11509798

IUPAC1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCc1ccc(OCc2nccc3c(C)c(C)n(Cc4ccc(F)cc4)c23)cc1.Cl
InChIInChI=1S/C24H23FN2O.ClH/c1-16-4-10-21(11-5-16)28-15-23-24-22(12-13-26-23)17(2)18(3)27(24)14-19-6-8-20(25)9-7-19;/h4-13H,14-15H2,1-3H3;1H
InChIKeySALWKFHQEGTZNN-UHFFFAOYSA-N
MW410.92 g/mol
LogP6.15
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride

1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 11509798) has the molecular formula C24H24ClFN2O and a molecular weight of 410.92 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID11509798
Molecular FormulaC24H24ClFN2O
Molecular Weight410.92 g/mol
Exact Mass410.16
IUPAC Name1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCc1ccc(OCc2nccc3c(C)c(C)n(Cc4ccc(F)cc4)c23)cc1.Cl
InChIInChI=1S/C24H23FN2O.ClH/c1-16-4-10-21(11-5-16)28-15-23-24-22(12-13-26-23)17(2)18(3)27(24)14-19-6-8-20(25)9-7-19;/h4-13H,14-15H2,1-3H3;1H
InChIKeySALWKFHQEGTZNN-UHFFFAOYSA-N
XLogP6.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.92
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride (CID 11509798) is 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride is Cc1ccc(OCc2nccc3c(C)c(C)n(Cc4ccc(F)cc4)c23)cc1.Cl.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is SALWKFHQEGTZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O.ClH/c1-16-4-10-21(11-5-16)28-15-23-24-22(12-13-26-23)17(2)18(3)27(24)14-19-6-8-20(25)9-7-19;/h4-13H,14-15H2,1-3H3;1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride?
1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 410.92 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 11509798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).