8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C16H14FN5S — CID 53252253

IUPAC8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2cccs2)nc1CCc1nc2c(F)cccn2n1
InChIInChI=1S/C16H14FN5S/c1-21-10-12(13-5-3-9-23-13)18-15(21)7-6-14-19-16-11(17)4-2-8-22(16)20-14/h2-5,8-10H,6-7H2,1H3
InChIKeyPZRYXFUJUXZQFM-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.12
Rot. Bonds4

About 8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53252253) has the molecular formula C16H14FN5S and a molecular weight of 327.39 g/mol. Its IUPAC name is 8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53252253
Molecular FormulaC16H14FN5S
Molecular Weight327.39 g/mol
Exact Mass327.10
IUPAC Name8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2cccs2)nc1CCc1nc2c(F)cccn2n1
InChIInChI=1S/C16H14FN5S/c1-21-10-12(13-5-3-9-23-13)18-15(21)7-6-14-19-16-11(17)4-2-8-22(16)20-14/h2-5,8-10H,6-7H2,1H3
InChIKeyPZRYXFUJUXZQFM-UHFFFAOYSA-N
XLogP3.12
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-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 8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53252253) is 8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cn1cc(-c2cccs2)nc1CCc1nc2c(F)cccn2n1.
What is the InChIKey of 8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PZRYXFUJUXZQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5S/c1-21-10-12(13-5-3-9-23-13)18-15(21)7-6-14-19-16-11(17)4-2-8-22(16)20-14/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 327.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53252253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).