ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate

C16H13FN2O2 — CID 154718869

IUPACethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C16H13FN2O2/c1-2-21-16(20)14-13-5-3-4-10-19(13)15(18-14)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3
InChIKeyJGFLDCBRDWENEF-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.32
Rot. Bonds3

About ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate

ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 154718869) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID154718869
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Nameethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C16H13FN2O2/c1-2-21-16(20)14-13-5-3-4-10-19(13)15(18-14)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3
InChIKeyJGFLDCBRDWENEF-UHFFFAOYSA-N
XLogP3.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4-methylphenyl)-alpha-oxoimidazo(1,2-a)pyridine-3-acetate
CID 4962038
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate
CID 127044387
5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate
CID 127044389
Tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate
CID 127044721
Ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
CID 127044891
ethyl 3-{[(E)-(dimethylamino)methylidene]amino}-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 2831745
[2-(4-Methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 3529980
Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 154718869) is ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate is CCOC(=O)c1nc(-c2ccc(F)cc2)n2ccccc12.
What is the InChIKey of ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is JGFLDCBRDWENEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-21-16(20)14-13-5-3-4-10-19(13)15(18-14)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 284.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 154718869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).