6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine

C22H16FN5 — CID 23433734

IUPAC6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(-c2[nH]cnc2-c2ccc3nnc(-c4ccccc4)n3c2)ccc1F
InChIInChI=1S/C22H16FN5/c1-14-11-16(7-9-18(14)23)20-21(25-13-24-20)17-8-10-19-26-27-22(28(19)12-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,25)
InChIKeyVBDHJXJQEYYERY-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.90
Rot. Bonds3

About 6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine

6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 23433734) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID23433734
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(-c2[nH]cnc2-c2ccc3nnc(-c4ccccc4)n3c2)ccc1F
InChIInChI=1S/C22H16FN5/c1-14-11-16(7-9-18(14)23)20-21(25-13-24-20)17-8-10-19-26-27-22(28(19)12-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,25)
InChIKeyVBDHJXJQEYYERY-UHFFFAOYSA-N
XLogP4.90
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]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 6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine (CID 23433734) is 6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1cc(-c2[nH]cnc2-c2ccc3nnc(-c4ccccc4)n3c2)ccc1F.
What is the InChIKey of 6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VBDHJXJQEYYERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c1-14-11-16(7-9-18(14)23)20-21(25-13-24-20)17-8-10-19-26-27-22(28(19)12-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,25).
What are the key properties of 6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 369.40 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 23433734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).