3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile

C16H10F4N2O2S — CID 166796036

IUPAC3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile
SMILESCSc1cnc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)C(F)(F)[C@@H]2F
InChIInChI=1S/C16H10F4N2O2S/c1-25-10-6-22-15(12-11(10)14(23)16(19,20)13(12)18)24-9-3-7(5-21)2-8(17)4-9/h2-4,6,13-14,23H,1H3/t13-,14+/m1/s1
InChIKeyILVOGMFPEURNOL-KGLIPLIRSA-N
MW370.33 g/mol
LogP4.30
Rot. Bonds3

About 3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile

3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile (PubChem CID 166796036) has the molecular formula C16H10F4N2O2S and a molecular weight of 370.33 g/mol. Its IUPAC name is 3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile
PubChem CID166796036
Molecular FormulaC16H10F4N2O2S
Molecular Weight370.33 g/mol
Exact Mass370.04
IUPAC Name3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile
SMILESCSc1cnc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)C(F)(F)[C@@H]2F
InChIInChI=1S/C16H10F4N2O2S/c1-25-10-6-22-15(12-11(10)14(23)16(19,20)13(12)18)24-9-3-7(5-21)2-8(17)4-9/h2-4,6,13-14,23H,1H3/t13-,14+/m1/s1
InChIKeyILVOGMFPEURNOL-KGLIPLIRSA-N
XLogP4.30
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile?
The IUPAC name of 3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile (CID 166796036) is 3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile?
The canonical SMILES for 3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile is CSc1cnc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)C(F)(F)[C@@H]2F.
What is the InChIKey of 3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile?
The InChIKey is ILVOGMFPEURNOL-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H10F4N2O2S/c1-25-10-6-22-15(12-11(10)14(23)16(19,20)13(12)18)24-9-3-7(5-21)2-8(17)4-9/h2-4,6,13-14,23H,1H3/t13-,14+/m1/s1.
What are the key properties of 3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile?
3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile has a molecular weight of 370.33 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[(5S,7R)-6,6,7-trifluoro-5-hydroxy-4-methylsulfanyl-5,7-dihydrocyclopenta[c]pyridin-1-yl]oxy]benzonitrile is sourced from PubChem (CID 166796036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).