ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate

C17H15ClFN3O3 — CID 19875255

IUPACethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate
SMILESCCOC(=O)c1cc(-n2c(C#N)c3n(c2=O)CCCC3)c(F)cc1Cl
InChIInChI=1S/C17H15ClFN3O3/c1-2-25-16(23)10-7-14(12(19)8-11(10)18)22-15(9-20)13-5-3-4-6-21(13)17(22)24/h7-8H,2-6H2,1H3
InChIKeyLFEOBAXJNWDAEV-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.82
Rot. Bonds3

About ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate

ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate (PubChem CID 19875255) has the molecular formula C17H15ClFN3O3 and a molecular weight of 363.78 g/mol. Its IUPAC name is ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate
PubChem CID19875255
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.78 g/mol
Exact Mass363.08
IUPAC Nameethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate
SMILESCCOC(=O)c1cc(-n2c(C#N)c3n(c2=O)CCCC3)c(F)cc1Cl
InChIInChI=1S/C17H15ClFN3O3/c1-2-25-16(23)10-7-14(12(19)8-11(10)18)22-15(9-20)13-5-3-4-6-21(13)17(22)24/h7-8H,2-6H2,1H3
InChIKeyLFEOBAXJNWDAEV-UHFFFAOYSA-N
XLogP2.82
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate with MolForge

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Related Compounds

ethyl 2-chloro-5-(1,3-dioxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-2-yl)-4-fluorobenzoate
CID 13372501
2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-oxo-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonitrile
CID 19875204
ethyl 2-chloro-5-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)-4-fluorobenzoate
CID 13372494
2-methoxyethyl 2-chloro-4-fluoro-5-(1-hydroxy-3-sulfanylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)benzoate
CID 54227555
ethyl 2-chloro-5-cyano-4-fluorobenzoate
CID 134650896
ethyl 2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate
CID 12993856
ethyl 2-chloro-5-[2-chloro-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-4-fluorobenzoate
CID 21270749
ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
CID 155177441
ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
CID 129080208
ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate
CID 146496064
ethyl 5-chloro-2-cyano-3-fluorobenzoate
CID 134650913
ethyl 2-chloro-4-fluoro-5-[2-(2-hydroxyiminocyclohexylidene)hydrazinyl]benzoate
CID 139685372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate?
The IUPAC name of ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate (CID 19875255) is ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate.
What is the SMILES notation for ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate?
The canonical SMILES for ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate is CCOC(=O)c1cc(-n2c(C#N)c3n(c2=O)CCCC3)c(F)cc1Cl.
What is the InChIKey of ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate?
The InChIKey is LFEOBAXJNWDAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3/c1-2-25-16(23)10-7-14(12(19)8-11(10)18)22-15(9-20)13-5-3-4-6-21(13)17(22)24/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate?
ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate has a molecular weight of 363.78 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate is sourced from PubChem (CID 19875255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).