4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid

C17H17FN2O2 — CID 122650485

IUPAC4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC([C@@H]2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C17H17FN2O2/c18-13-3-1-2-12-14-8-19-9-20(14)16(15(12)13)10-4-6-11(7-5-10)17(21)22/h1-3,8-11,16H,4-7H2,(H,21,22)/t10?,11?,16-/m1/s1
InChIKeyGQWADZJBMICPIS-CLIRUNRCSA-N
MW300.33 g/mol
LogP3.48
Rot. Bonds2

About 4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid

4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid (PubChem CID 122650485) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid
PubChem CID122650485
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC([C@@H]2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C17H17FN2O2/c18-13-3-1-2-12-14-8-19-9-20(14)16(15(12)13)10-4-6-11(7-5-10)17(21)22/h1-3,8-11,16H,4-7H2,(H,21,22)/t10?,11?,16-/m1/s1
InChIKeyGQWADZJBMICPIS-CLIRUNRCSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid (CID 122650485) is 4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC([C@@H]2c3c(F)cccc3-c3cncn32)CC1.
What is the InChIKey of 4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid?
The InChIKey is GQWADZJBMICPIS-CLIRUNRCSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-13-3-1-2-12-14-8-19-9-20(14)16(15(12)13)10-4-6-11(7-5-10)17(21)22/h1-3,8-11,16H,4-7H2,(H,21,22)/t10?,11?,16-/m1/s1.
What are the key properties of 4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid?
4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid has a molecular weight of 300.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122650485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).