7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride

C24H24ClFN2O2 — CID 11647587

IUPAC7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride
SMILESCOc1cccc(Cn2c(C)c(C)c3cncc(OCc4ccc(F)cc4)c32)c1.Cl
InChIInChI=1S/C24H23FN2O2.ClH/c1-16-17(2)27(14-19-5-4-6-21(11-19)28-3)24-22(16)12-26-13-23(24)29-15-18-7-9-20(25)10-8-18;/h4-13H,14-15H2,1-3H3;1H
InChIKeyAFNMHBFCCXQQNT-UHFFFAOYSA-N
MW426.92 g/mol
LogP5.85
Rot. Bonds6

About 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride

7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride (PubChem CID 11647587) has the molecular formula C24H24ClFN2O2 and a molecular weight of 426.92 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride
PubChem CID11647587
Molecular FormulaC24H24ClFN2O2
Molecular Weight426.92 g/mol
Exact Mass426.15
IUPAC Name7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride
SMILESCOc1cccc(Cn2c(C)c(C)c3cncc(OCc4ccc(F)cc4)c32)c1.Cl
InChIInChI=1S/C24H23FN2O2.ClH/c1-16-17(2)27(14-19-5-4-6-21(11-19)28-3)24-22(16)12-26-13-23(24)29-15-18-7-9-20(25)10-8-18;/h4-13H,14-15H2,1-3H3;1H
InChIKeyAFNMHBFCCXQQNT-UHFFFAOYSA-N
XLogP5.85
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.92
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11640443
7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine
CID 11508849
7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 67141832
7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
CID 11683091
7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
CID 67141858
3-[[7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile
CID 11589868
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
7-[(4-bromophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
CID 68705314
7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride
CID 11638090
[4-(4-fluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridin-7-yl]-2-methylbutan-2-yl] carbamate;hydrochloride
CID 174522444
3-[[5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]benzonitrile
CID 11495445
1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 68701294

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride (CID 11647587) is 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride is COc1cccc(Cn2c(C)c(C)c3cncc(OCc4ccc(F)cc4)c32)c1.Cl.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride?
The InChIKey is AFNMHBFCCXQQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2.ClH/c1-16-17(2)27(14-19-5-4-6-21(11-19)28-3)24-22(16)12-26-13-23(24)29-15-18-7-9-20(25)10-8-18;/h4-13H,14-15H2,1-3H3;1H.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride?
7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride has a molecular weight of 426.92 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 11647587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).