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

C23H21FN2 — CID 67141869

IUPAC1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
SMILESCc1ccc(-c2nccc3c(C)c(C)n(Cc4cccc(F)c4)c23)cc1
InChIInChI=1S/C23H21FN2/c1-15-7-9-19(10-8-15)22-23-21(11-12-25-22)16(2)17(3)26(23)14-18-5-4-6-20(24)13-18/h4-13H,14H2,1-3H3
InChIKeyGIVCMEZPJRRLSL-UHFFFAOYSA-N
MW344.43 g/mol
LogP5.82
Rot. Bonds3

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

1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine (PubChem CID 67141869) has the molecular formula C23H21FN2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
PubChem CID67141869
Molecular FormulaC23H21FN2
Molecular Weight344.43 g/mol
Exact Mass344.17
IUPAC Name1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
SMILESCc1ccc(-c2nccc3c(C)c(C)n(Cc4cccc(F)c4)c23)cc1
InChIInChI=1S/C23H21FN2/c1-15-7-9-19(10-8-15)22-23-21(11-12-25-22)16(2)17(3)26(23)14-18-5-4-6-20(24)13-18/h4-13H,14H2,1-3H3
InChIKeyGIVCMEZPJRRLSL-UHFFFAOYSA-N
XLogP5.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine (CID 67141869) is 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine is Cc1ccc(-c2nccc3c(C)c(C)n(Cc4cccc(F)c4)c23)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The InChIKey is GIVCMEZPJRRLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2/c1-15-7-9-19(10-8-15)22-23-21(11-12-25-22)16(2)17(3)26(23)14-18-5-4-6-20(24)13-18/h4-13H,14H2,1-3H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine has a molecular weight of 344.43 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).