ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate

C23H20FN3O4 — CID 102379141

IUPACethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)cn2c1=O
InChIInChI=1S/C23H20FN3O4/c1-3-31-22(29)18-13-26(12-16-6-4-5-7-19(16)24)23-25-20(14-27(23)21(18)28)15-8-10-17(30-2)11-9-15/h4-11,13-14H,3,12H2,1-2H3
InChIKeyROAPXYMCHRYYIQ-UHFFFAOYSA-N
MW421.43 g/mol
LogP3.54
Rot. Bonds6

About ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate

ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 102379141) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID102379141
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Nameethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)cn2c1=O
InChIInChI=1S/C23H20FN3O4/c1-3-31-22(29)18-13-26(12-16-6-4-5-7-19(16)24)23-25-20(14-27(23)21(18)28)15-8-10-17(30-2)11-9-15/h4-11,13-14H,3,12H2,1-2H3
InChIKeyROAPXYMCHRYYIQ-UHFFFAOYSA-N
XLogP3.54
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-ethyl-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate
CID 70033432
ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
3-(2-ethoxy-2-oxoethyl)-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 18672024
ethyl 1-[(2-fluorophenyl)methyl]-8-isocyano-7-(4-methoxyphenyl)-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylate
CID 22947851
ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate
CID 25025619
ethyl 8-[(2,6-difluorophenyl)methyl]-3-methyl-2-(4-nitrophenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
CID 15521573
ethyl 1-[(2-chlorophenyl)methyl]-4-(4-methoxyphenyl)pyrrole-3-carboxylate
CID 14739378
ethyl 1-(4-methoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrazole-4-carboxylate
CID 171383554
ethyl 2-ethenyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 22452257
ethyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]acetate
CID 118631116
ethyl 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate;hydrochloride
CID 11685956
ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate
CID 22452273

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate (CID 102379141) is ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)cn2c1=O.
What is the InChIKey of ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is ROAPXYMCHRYYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c1-3-31-22(29)18-13-26(12-16-6-4-5-7-19(16)24)23-25-20(14-27(23)21(18)28)15-8-10-17(30-2)11-9-15/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate?
ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 421.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 102379141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).