methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate

C15H11F2N3O2 — CID 164594267

IUPACmethyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1ncc2cc(-c3c(F)ccc(N)c3F)ccn12
InChIInChI=1S/C15H11F2N3O2/c1-22-15(21)14-19-7-9-6-8(4-5-20(9)14)12-10(16)2-3-11(18)13(12)17/h2-7H,18H2,1H3
InChIKeyHEMPIXFBXHBZAN-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.65
Rot. Bonds2

About methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate

methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate (PubChem CID 164594267) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate
PubChem CID164594267
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Namemethyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1ncc2cc(-c3c(F)ccc(N)c3F)ccn12
InChIInChI=1S/C15H11F2N3O2/c1-22-15(21)14-19-7-9-6-8(4-5-20(9)14)12-10(16)2-3-11(18)13(12)17/h2-7H,18H2,1H3
InChIKeyHEMPIXFBXHBZAN-UHFFFAOYSA-N
XLogP2.65
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-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 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate (CID 164594267) is methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate is COC(=O)c1ncc2cc(-c3c(F)ccc(N)c3F)ccn12.
What is the InChIKey of methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate?
The InChIKey is HEMPIXFBXHBZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c1-22-15(21)14-19-7-9-6-8(4-5-20(9)14)12-10(16)2-3-11(18)13(12)17/h2-7H,18H2,1H3.
What are the key properties of methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate?
methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate has a molecular weight of 303.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 164594267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).