ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate

C17H15FN2O2 — CID 59177857

IUPACethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCCOC(=O)c1nc(Cc2ccccc2F)n2ccccc12
InChIInChI=1S/C17H15FN2O2/c1-2-22-17(21)16-14-9-5-6-10-20(14)15(19-16)11-12-7-3-4-8-13(12)18/h3-10H,2,11H2,1H3
InChIKeyHQVLUAPLLAJKJI-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.24
Rot. Bonds4

About ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate

ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 59177857) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID59177857
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Nameethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCCOC(=O)c1nc(Cc2ccccc2F)n2ccccc12
InChIInChI=1S/C17H15FN2O2/c1-2-22-17(21)16-14-9-5-6-10-20(14)15(19-16)11-12-7-3-4-8-13(12)18/h3-10H,2,11H2,1H3
InChIKeyHQVLUAPLLAJKJI-UHFFFAOYSA-N
XLogP3.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate (CID 59177857) is ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate is CCOC(=O)c1nc(Cc2ccccc2F)n2ccccc12.
What is the InChIKey of ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is HQVLUAPLLAJKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-2-22-17(21)16-14-9-5-6-10-20(14)15(19-16)11-12-7-3-4-8-13(12)18/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate?
ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 298.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 59177857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).