5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid

C15H12FN3O2S — CID 59140135

IUPAC5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCSc1ccc(Nc2c(C(=O)O)ccc3cncn23)c(F)c1
InChIInChI=1S/C15H12FN3O2S/c1-22-10-3-5-13(12(16)6-10)18-14-11(15(20)21)4-2-9-7-17-8-19(9)14/h2-8,18H,1H3,(H,20,21)
InChIKeyYWYDATLOKUSADP-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.64
Rot. Bonds4

About 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid

5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 59140135) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID59140135
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCSc1ccc(Nc2c(C(=O)O)ccc3cncn23)c(F)c1
InChIInChI=1S/C15H12FN3O2S/c1-22-10-3-5-13(12(16)6-10)18-14-11(15(20)21)4-2-9-7-17-8-19(9)14/h2-8,18H,1H3,(H,20,21)
InChIKeyYWYDATLOKUSADP-UHFFFAOYSA-N
XLogP3.64
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid (CID 59140135) is 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid is CSc1ccc(Nc2c(C(=O)O)ccc3cncn23)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is YWYDATLOKUSADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-22-10-3-5-13(12(16)6-10)18-14-11(15(20)21)4-2-9-7-17-8-19(9)14/h2-8,18H,1H3,(H,20,21).
What are the key properties of 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 59140135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).