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

C15H11F2N3O2 — CID 164593825

IUPACmethyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1ncn2cc(-c3c(F)ccc(N)c3F)ccc12
InChIInChI=1S/C15H11F2N3O2/c1-22-15(21)14-11-5-2-8(6-20(11)7-19-14)12-9(16)3-4-10(18)13(12)17/h2-7H,18H2,1H3
InChIKeyBCSFBCXXEOISQY-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.65
Rot. Bonds2

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

methyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 164593825) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is methyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID164593825
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Namemethyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1ncn2cc(-c3c(F)ccc(N)c3F)ccc12
InChIInChI=1S/C15H11F2N3O2/c1-22-15(21)14-11-5-2-8(6-20(11)7-19-14)12-9(16)3-4-10(18)13(12)17/h2-7H,18H2,1H3
InChIKeyBCSFBCXXEOISQY-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 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate
CID 164594263
methyl 7-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate
CID 164594267
ethyl 6-fluoroimidazo[1,5-a]pyridine-1-carboxylate
CID 155920991
2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline
CID 156832887
6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 170356769
6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine
CID 175520463
methyl 8-amino-5-fluoroisoquinoline-1-carboxylate
CID 82572045
2,4-difluoro-3-(1-iodoimidazo[1,5-a]pyrazin-6-yl)aniline
CID 164594670
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
1-[6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazin-1-yl]ethanone;butane
CID 164594138
methyl 3-amino-2-fluoro-6-methylbenzoate
CID 84768925
methyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306502

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 164593825) is methyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1ncn2cc(-c3c(F)ccc(N)c3F)ccc12.
What is the InChIKey of methyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is BCSFBCXXEOISQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c1-22-15(21)14-11-5-2-8(6-20(11)7-19-14)12-9(16)3-4-10(18)13(12)17/h2-7H,18H2,1H3.
What are the key properties of methyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-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 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 164593825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).