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

C17H14FN5O — CID 53252251

IUPAC8-fluoro-2-[(E)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(-c2cn(C)c(/C=C/c3nc4c(F)cccn4n3)n2)o1
InChIInChI=1S/C17H14FN5O/c1-11-5-6-14(24-11)13-10-22(2)16(19-13)8-7-15-20-17-12(18)4-3-9-23(17)21-15/h3-10H,1-2H3/b8-7+
InChIKeyFEQMLFBTPJXQIA-BQYQJAHWSA-N
MW323.33 g/mol
LogP3.34
Rot. Bonds3

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

8-fluoro-2-[(E)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53252251) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 8-fluoro-2-[(E)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-fluoro-2-[(E)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53252251
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name8-fluoro-2-[(E)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(-c2cn(C)c(/C=C/c3nc4c(F)cccn4n3)n2)o1
InChIInChI=1S/C17H14FN5O/c1-11-5-6-14(24-11)13-10-22(2)16(19-13)8-7-15-20-17-12(18)4-3-9-23(17)21-15/h3-10H,1-2H3/b8-7+
InChIKeyFEQMLFBTPJXQIA-BQYQJAHWSA-N
XLogP3.34
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.34
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-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-fluoro-2-[(E)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53252251) is 8-fluoro-2-[(E)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-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-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-fluoro-2-[(E)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(-c2cn(C)c(/C=C/c3nc4c(F)cccn4n3)n2)o1.
What is the InChIKey of 8-fluoro-2-[(E)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FEQMLFBTPJXQIA-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-11-5-6-14(24-11)13-10-22(2)16(19-13)8-7-15-20-17-12(18)4-3-9-23(17)21-15/h3-10H,1-2H3/b8-7+.
What are the key properties of 8-fluoro-2-[(E)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-fluoro-2-[(E)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 323.33 g/mol, XLogP of 3.34, 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-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53252251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).