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

C18H17FN2O — CID 87285062

IUPAC7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC2CO2)c2c(-c3ccc(F)cc3)nccc12
InChIInChI=1S/C18H17FN2O/c1-11-12(2)21(9-15-10-22-15)18-16(11)7-8-20-17(18)13-3-5-14(19)6-4-13/h3-8,15H,9-10H2,1-2H3
InChIKeyFFSLGNGYGSSMCC-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.86
Rot. Bonds3

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

7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine (PubChem CID 87285062) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine
PubChem CID87285062
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC2CO2)c2c(-c3ccc(F)cc3)nccc12
InChIInChI=1S/C18H17FN2O/c1-11-12(2)21(9-15-10-22-15)18-16(11)7-8-20-17(18)13-3-5-14(19)6-4-13/h3-8,15H,9-10H2,1-2H3
InChIKeyFFSLGNGYGSSMCC-UHFFFAOYSA-N
XLogP3.86
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine (CID 87285062) is 7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine is Cc1c(C)n(CC2CO2)c2c(-c3ccc(F)cc3)nccc12.
What is the InChIKey of 7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine?
The InChIKey is FFSLGNGYGSSMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-11-12(2)21(9-15-10-22-15)18-16(11)7-8-20-17(18)13-3-5-14(19)6-4-13/h3-8,15H,9-10H2,1-2H3.
What are the key properties of 7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine?
7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine has a molecular weight of 296.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 87285062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).