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

C16H14FN3O2S — CID 59140141

IUPACmethyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2cncn2c1Nc1ccc(SC)cc1F
InChIInChI=1S/C16H14FN3O2S/c1-22-16(21)12-5-3-10-8-18-9-20(10)15(12)19-14-6-4-11(23-2)7-13(14)17/h3-9,19H,1-2H3
InChIKeyPMQGGOKVAOCTIU-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.73
Rot. Bonds4

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

methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 59140141) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate
PubChem CID59140141
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Namemethyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2cncn2c1Nc1ccc(SC)cc1F
InChIInChI=1S/C16H14FN3O2S/c1-22-16(21)12-5-3-10-8-18-9-20(10)15(12)19-14-6-4-11(23-2)7-13(14)17/h3-9,19H,1-2H3
InChIKeyPMQGGOKVAOCTIU-UHFFFAOYSA-N
XLogP3.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate 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 methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate (CID 59140141) is methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2cncn2c1Nc1ccc(SC)cc1F.
What is the InChIKey of methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is PMQGGOKVAOCTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-22-16(21)12-5-3-10-8-18-9-20(10)15(12)19-14-6-4-11(23-2)7-13(14)17/h3-9,19H,1-2H3.
What are the key properties of methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate?
methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 59140141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).