8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid

C15H12FN3O2S — CID 67233809

IUPAC8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCSc1ccc(Nc2c(C(=O)O)ccn3cncc23)c(F)c1
InChIInChI=1S/C15H12FN3O2S/c1-22-9-2-3-12(11(16)6-9)18-14-10(15(20)21)4-5-19-8-17-7-13(14)19/h2-8,18H,1H3,(H,20,21)
InChIKeyOOANANCIZWYDDL-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.64
Rot. Bonds4

About 8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid

8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 67233809) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID67233809
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCSc1ccc(Nc2c(C(=O)O)ccn3cncc23)c(F)c1
InChIInChI=1S/C15H12FN3O2S/c1-22-9-2-3-12(11(16)6-9)18-14-10(15(20)21)4-5-19-8-17-7-13(14)19/h2-8,18H,1H3,(H,20,21)
InChIKeyOOANANCIZWYDDL-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 8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid (CID 67233809) is 8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid is CSc1ccc(Nc2c(C(=O)O)ccn3cncc23)c(F)c1.
What is the InChIKey of 8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is OOANANCIZWYDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-22-9-2-3-12(11(16)6-9)18-14-10(15(20)21)4-5-19-8-17-7-13(14)19/h2-8,18H,1H3,(H,20,21).
What are the key properties of 8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid?
8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-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 8-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 67233809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).