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

C22H17FN2O2S — CID 24991524

IUPAC2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid
SMILESCc1c(CC(=O)O)c2ccc(F)cn2c1Sc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C22H17FN2O2S/c1-14-18(12-21(26)27)20-10-7-16(23)13-25(20)22(14)28-17-8-5-15(6-9-17)19-4-2-3-11-24-19/h2-11,13H,12H2,1H3,(H,26,27)
InChIKeyZQXUTENACWNSDH-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.23
Rot. Bonds5

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

2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid (PubChem CID 24991524) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid
PubChem CID24991524
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid
SMILESCc1c(CC(=O)O)c2ccc(F)cn2c1Sc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C22H17FN2O2S/c1-14-18(12-21(26)27)20-10-7-16(23)13-25(20)22(14)28-17-8-5-15(6-9-17)19-4-2-3-11-24-19/h2-11,13H,12H2,1H3,(H,26,27)
InChIKeyZQXUTENACWNSDH-UHFFFAOYSA-N
XLogP5.23
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetate
CID 68588241
bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
CID 166063488
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
2-phenylpyridine;propan-2-one
CID 174845023
2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid
CID 83821721
2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid
CID 110464860
2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 70873453
bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate
CID 175720169
2-(8-fluoro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82529255
4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 56584722
2-(4-methylphenyl)pyridine;silver
CID 121395993
N-(6-fluoro-3-pyridin-2-ylimidazo[1,2-a]pyridin-2-yl)-3,3-dimethylbutanamide
CID 25196868

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid (CID 24991524) is 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid is Cc1c(CC(=O)O)c2ccc(F)cn2c1Sc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid?
The InChIKey is ZQXUTENACWNSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-14-18(12-21(26)27)20-10-7-16(23)13-25(20)22(14)28-17-8-5-15(6-9-17)19-4-2-3-11-24-19/h2-11,13H,12H2,1H3,(H,26,27).
What are the key properties of 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid?
2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid has a molecular weight of 392.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-methyl-3-(4-pyridin-2-ylphenyl)sulfanylindolizin-1-yl]acetic acid is sourced from PubChem (CID 24991524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).