ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate

C20H24FN3O3 — CID 156798747

IUPACethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate
SMILESCCCc1c(C(C(=O)OCC)N2Cc3c(F)cc(C)cc3C2=O)ncn1C
InChIInChI=1S/C20H24FN3O3/c1-5-7-16-17(22-11-23(16)4)18(20(26)27-6-2)24-10-14-13(19(24)25)8-12(3)9-15(14)21/h8-9,11,18H,5-7,10H2,1-4H3
InChIKeyALAADCNGSRTUMD-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.08
Rot. Bonds6

About ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate

ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate (PubChem CID 156798747) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate
PubChem CID156798747
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Nameethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate
SMILESCCCc1c(C(C(=O)OCC)N2Cc3c(F)cc(C)cc3C2=O)ncn1C
InChIInChI=1S/C20H24FN3O3/c1-5-7-16-17(22-11-23(16)4)18(20(26)27-6-2)24-10-14-13(19(24)25)8-12(3)9-15(14)21/h8-9,11,18H,5-7,10H2,1-4H3
InChIKeyALAADCNGSRTUMD-UHFFFAOYSA-N
XLogP3.08
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate with MolForge

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Related Compounds

ethyl (2R)-2-[5-bromo-7-(difluoromethyl)-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 175730266
ethyl 2-[5-bromo-7-(difluoromethyl)-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 162718579
tert-butyl 4-[4-[2-[1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-ethoxy-2-oxoethyl]-7-fluoro-3-oxo-1H-isoindol-5-yl]phenoxy]piperidine-1-carboxylate;tert-butyl (3R)-3-[4-[2-[1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-ethoxy-2-oxoethyl]-7-fluoro-3-oxo-1H-isoindol-5-yl]phenoxy]pyrrolidine-1-carboxylate
CID 175797082
ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate
CID 81297311
tert-butyl 4-[6-[2-[1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-methoxy-2-oxoethyl]-7-fluoro-3-oxo-1H-isoindol-5-yl]-3-pyridinyl]piperazine-1-carboxylate
CID 156516166
2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 153380873
2-chloro-3-fluoro-5-methylpyridine;diethyl 2-(3-fluoro-5-methyl-2-pyridinyl)propanedioate
CID 167706434
7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione
CID 64865870
ethyl 2-(6-bromo-4,7-dimethylindazol-2-yl)-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 155414220
ethyl 2-(6-bromo-4-fluoroindazol-2-yl)-2-[(6R)-6-fluoro-3-sulfanylidene-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-1-yl]acetate
CID 155413187
tert-butyl 2-[4-[4-[2-[(1R)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-7-fluoro-3-oxo-1H-isoindol-5-yl]phenyl]piperidin-1-yl]acetate
CID 175756580
ethyl 2-(4-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetate
CID 101264163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate?
The IUPAC name of ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate (CID 156798747) is ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate is CCCc1c(C(C(=O)OCC)N2Cc3c(F)cc(C)cc3C2=O)ncn1C.
What is the InChIKey of ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate?
The InChIKey is ALAADCNGSRTUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-5-7-16-17(22-11-23(16)4)18(20(26)27-6-2)24-10-14-13(19(24)25)8-12(3)9-15(14)21/h8-9,11,18H,5-7,10H2,1-4H3.
What are the key properties of ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate?
ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate has a molecular weight of 373.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate is sourced from PubChem (CID 156798747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).