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

C16H12FN5S — CID 53252250

IUPAC8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2cccs2)nc1/C=C/c1nc2c(F)cccn2n1
InChIInChI=1S/C16H12FN5S/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/h2-10H,1H3/b7-6+
InChIKeyJDKKEFOSGDWNGM-VOTSOKGWSA-N
MW325.37 g/mol
LogP3.50
Rot. Bonds3

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

8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53252250) has the molecular formula C16H12FN5S and a molecular weight of 325.37 g/mol. Its IUPAC name is 8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53252250
Molecular FormulaC16H12FN5S
Molecular Weight325.37 g/mol
Exact Mass325.08
IUPAC Name8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2cccs2)nc1/C=C/c1nc2c(F)cccn2n1
InChIInChI=1S/C16H12FN5S/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/h2-10H,1H3/b7-6+
InChIKeyJDKKEFOSGDWNGM-VOTSOKGWSA-N
XLogP3.50
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53252250) is 8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is Cn1cc(-c2cccs2)nc1/C=C/c1nc2c(F)cccn2n1.
What is the InChIKey of 8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JDKKEFOSGDWNGM-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H12FN5S/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/h2-10H,1H3/b7-6+.
What are the key properties of 8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 325.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53252250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).