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

C23H21FN2O — CID 67141832

IUPAC7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCOc1cccc(Cn2c(C)c(C)c3ccnc(-c4ccc(F)cc4)c32)c1
InChIInChI=1S/C23H21FN2O/c1-15-16(2)26(14-17-5-4-6-20(13-17)27-3)23-21(15)11-12-25-22(23)18-7-9-19(24)10-8-18/h4-13H,14H2,1-3H3
InChIKeyICEOHWMBWSRULB-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.52
Rot. Bonds4

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

7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 67141832) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID67141832
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCOc1cccc(Cn2c(C)c(C)c3ccnc(-c4ccc(F)cc4)c32)c1
InChIInChI=1S/C23H21FN2O/c1-15-16(2)26(14-17-5-4-6-20(13-17)27-3)23-21(15)11-12-25-22(23)18-7-9-19(24)10-8-18/h4-13H,14H2,1-3H3
InChIKeyICEOHWMBWSRULB-UHFFFAOYSA-N
XLogP5.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
CID 67141858
1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
CID 67141869
7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride
CID 67141663
1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
CID 67142061
7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-c]pyridine;hydrochloride
CID 11647587
5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11640443
2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine
CID 67141505
1-[[2,5-bis(methylsulfonyl)phenyl]methyl]-7-(4-fluorophenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 68818051
4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline
CID 67140884
[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
1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride
CID 11509798
N-[[2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-yl]methyl]-4-fluoroaniline;hydrochloride
CID 67142494

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 67141832) is 7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine is COc1cccc(Cn2c(C)c(C)c3ccnc(-c4ccc(F)cc4)c32)c1.
What is the InChIKey of 7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is ICEOHWMBWSRULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-15-16(2)26(14-17-5-4-6-20(13-17)27-3)23-21(15)11-12-25-22(23)18-7-9-19(24)10-8-18/h4-13H,14H2,1-3H3.
What are the key properties of 7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 360.43 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).