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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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).