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

C23H21FN2O — CID 67141931

IUPAC1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(-c2nccc3c(C)c(C)n(Cc4cccc(F)c4)c23)cc1
InChIInChI=1S/C23H21FN2O/c1-15-16(2)26(14-17-5-4-6-19(24)13-17)23-21(15)11-12-25-22(23)18-7-9-20(27-3)10-8-18/h4-13H,14H2,1-3H3
InChIKeyXJMHURZYJCDEAK-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.52
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 67141931) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID67141931
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(-c2nccc3c(C)c(C)n(Cc4cccc(F)c4)c23)cc1
InChIInChI=1S/C23H21FN2O/c1-15-16(2)26(14-17-5-4-6-19(24)13-17)23-21(15)11-12-25-22(23)18-7-9-20(27-3)10-8-18/h4-13H,14H2,1-3H3
InChIKeyXJMHURZYJCDEAK-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 1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 67141931) is 1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine is COc1ccc(-c2nccc3c(C)c(C)n(Cc4cccc(F)c4)c23)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is XJMHURZYJCDEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-15-16(2)26(14-17-5-4-6-19(24)13-17)23-21(15)11-12-25-22(23)18-7-9-20(27-3)10-8-18/h4-13H,14H2,1-3H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-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 1-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).