4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole

C18H15FN4 — CID 170159258

IUPAC4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole
SMILESCc1ccc(F)c2ccn(-c3cccc(-c4nncn4C)c3)c12
InChIInChI=1S/C18H15FN4/c1-12-6-7-16(19)15-8-9-23(17(12)15)14-5-3-4-13(10-14)18-21-20-11-22(18)2/h3-11H,1-2H3
InChIKeyPLZOGILAGXTVQL-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.87
Rot. Bonds2

About 4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole

4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole (PubChem CID 170159258) has the molecular formula C18H15FN4 and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole.

Molecular Properties

Compound Name4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole
PubChem CID170159258
Molecular FormulaC18H15FN4
Molecular Weight306.34 g/mol
Exact Mass306.13
IUPAC Name4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole
SMILESCc1ccc(F)c2ccn(-c3cccc(-c4nncn4C)c3)c12
InChIInChI=1S/C18H15FN4/c1-12-6-7-16(19)15-8-9-23(17(12)15)14-5-3-4-13(10-14)18-21-20-11-22(18)2/h3-11H,1-2H3
InChIKeyPLZOGILAGXTVQL-UHFFFAOYSA-N
XLogP3.87
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole 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 4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole?
The IUPAC name of 4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole (CID 170159258) is 4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole.
What is the SMILES notation for 4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole?
The canonical SMILES for 4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole is Cc1ccc(F)c2ccn(-c3cccc(-c4nncn4C)c3)c12.
What is the InChIKey of 4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole?
The InChIKey is PLZOGILAGXTVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4/c1-12-6-7-16(19)15-8-9-23(17(12)15)14-5-3-4-13(10-14)18-21-20-11-22(18)2/h3-11H,1-2H3.
What are the key properties of 4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole?
4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole has a molecular weight of 306.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]indole is sourced from PubChem (CID 170159258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).