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

C16H13FN2O2 — CID 57436249

IUPACethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2)c2ccccn12
InChIInChI=1S/C16H13FN2O2/c1-2-21-16(20)15-18-14(11-6-8-12(17)9-7-11)13-5-3-4-10-19(13)15/h3-10H,2H2,1H3
InChIKeyUTXCJRZGGRGNAQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.32
Rot. Bonds3

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

ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate (PubChem CID 57436249) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate
PubChem CID57436249
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Nameethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2)c2ccccn12
InChIInChI=1S/C16H13FN2O2/c1-2-21-16(20)15-18-14(11-6-8-12(17)9-7-11)13-5-3-4-10-19(13)15/h3-10H,2H2,1H3
InChIKeyUTXCJRZGGRGNAQ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate (CID 57436249) is ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1nc(-c2ccc(F)cc2)c2ccccn12.
What is the InChIKey of ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate?
The InChIKey is UTXCJRZGGRGNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-21-16(20)15-18-14(11-6-8-12(17)9-7-11)13-5-3-4-10-19(13)15/h3-10H,2H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate?
ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-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 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 57436249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).