ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate

C18H16FN3O3 — CID 71820986

IUPACethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(=O)n2c1N(Cc1ccccc1F)CC2
InChIInChI=1S/C18H16FN3O3/c1-2-25-18(24)14-9-13(10-20)17(23)22-8-7-21(16(14)22)11-12-5-3-4-6-15(12)19/h3-6,9H,2,7-8,11H2,1H3
InChIKeyJJBSMVNKMIQOCL-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.06
Rot. Bonds4

About ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate

ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 71820986) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID71820986
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Nameethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(=O)n2c1N(Cc1ccccc1F)CC2
InChIInChI=1S/C18H16FN3O3/c1-2-25-18(24)14-9-13(10-20)17(23)22-8-7-21(16(14)22)11-12-5-3-4-6-15(12)19/h3-6,9H,2,7-8,11H2,1H3
InChIKeyJJBSMVNKMIQOCL-UHFFFAOYSA-N
XLogP2.06
TPSA75.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate (CID 71820986) is ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)c1cc(C#N)c(=O)n2c1N(Cc1ccccc1F)CC2.
What is the InChIKey of ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is JJBSMVNKMIQOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-2-25-18(24)14-9-13(10-20)17(23)22-8-7-21(16(14)22)11-12-5-3-4-6-15(12)19/h3-6,9H,2,7-8,11H2,1H3.
What are the key properties of ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 341.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyano-1-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 71820986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).