ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate

C24H21FN2O2S — CID 68588241

IUPACethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate
SMILESCCOC(=O)Cc1c(C)c(Sc2ccc(-c3ccccn3)cc2)n2cc(F)ccc12
InChIInChI=1S/C24H21FN2O2S/c1-3-29-23(28)14-20-16(2)24(27-15-18(25)9-12-22(20)27)30-19-10-7-17(8-11-19)21-6-4-5-13-26-21/h4-13,15H,3,14H2,1-2H3
InChIKeyXYSKXYZEURWLAM-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.71
Rot. Bonds6

About ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate

ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate (PubChem CID 68588241) has the molecular formula C24H21FN2O2S and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate
PubChem CID68588241
Molecular FormulaC24H21FN2O2S
Molecular Weight420.51 g/mol
Exact Mass420.13
IUPAC Nameethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate
SMILESCCOC(=O)Cc1c(C)c(Sc2ccc(-c3ccccn3)cc2)n2cc(F)ccc12
InChIInChI=1S/C24H21FN2O2S/c1-3-29-23(28)14-20-16(2)24(27-15-18(25)9-12-22(20)27)30-19-10-7-17(8-11-19)21-6-4-5-13-26-21/h4-13,15H,3,14H2,1-2H3
InChIKeyXYSKXYZEURWLAM-UHFFFAOYSA-N
XLogP5.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid
CID 24991524
ethyl 2-[3-(4-ethylsulfonylphenyl)sulfanyl-6-fluoro-2-methylindolizin-1-yl]acetate
CID 68693353
ethyl 2-[6-cyano-2-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]sulfanylindolizin-1-yl]acetate
CID 68588006
ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate
CID 174421102
ethyl 4-(4-pyridin-2-ylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 169091392
ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate
CID 171866921
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate
CID 122209885
ethyl 2-[6-cyano-3-[[2-(4-fluorophenoxy)phenyl]methyl]-2-methylindolizin-1-yl]acetate
CID 68858700
ethyl 5-(4-pyridin-2-ylphenyl)-2H-triazole-4-carboxylate
CID 169399077
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate
CID 21234424

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate (CID 68588241) is ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate is CCOC(=O)Cc1c(C)c(Sc2ccc(-c3ccccn3)cc2)n2cc(F)ccc12.
What is the InChIKey of ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate?
The InChIKey is XYSKXYZEURWLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2S/c1-3-29-23(28)14-20-16(2)24(27-15-18(25)9-12-22(20)27)30-19-10-7-17(8-11-19)21-6-4-5-13-26-21/h4-13,15H,3,14H2,1-2H3.
What are the key properties of ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate?
ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate has a molecular weight of 420.51 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate is sourced from PubChem (CID 68588241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).