5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione

C18H15FN2O3S — CID 11552203

IUPAC5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(F)ccc1Oc1cnc2c(c1)CC[C@H]2C1SC(=O)NC1=O
InChIInChI=1S/C18H15FN2O3S/c1-9-6-11(19)3-5-14(9)24-12-7-10-2-4-13(15(10)20-8-12)16-17(22)21-18(23)25-16/h3,5-8,13,16H,2,4H2,1H3,(H,21,22,23)/t13-,16?/m1/s1
InChIKeyBEWWLJPDELEGNQ-JBZHPUCOSA-N
MW358.39 g/mol
LogP3.70
Rot. Bonds3

About 5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione

5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 11552203) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione
PubChem CID11552203
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(F)ccc1Oc1cnc2c(c1)CC[C@H]2C1SC(=O)NC1=O
InChIInChI=1S/C18H15FN2O3S/c1-9-6-11(19)3-5-14(9)24-12-7-10-2-4-13(15(10)20-8-12)16-17(22)21-18(23)25-16/h3,5-8,13,16H,2,4H2,1H3,(H,21,22,23)/t13-,16?/m1/s1
InChIKeyBEWWLJPDELEGNQ-JBZHPUCOSA-N
XLogP3.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione 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 5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione (CID 11552203) is 5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione is Cc1cc(F)ccc1Oc1cnc2c(c1)CC[C@H]2C1SC(=O)NC1=O.
What is the InChIKey of 5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BEWWLJPDELEGNQ-JBZHPUCOSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-9-6-11(19)3-5-14(9)24-12-7-10-2-4-13(15(10)20-8-12)16-17(22)21-18(23)25-16/h3,5-8,13,16H,2,4H2,1H3,(H,21,22,23)/t13-,16?/m1/s1.
What are the key properties of 5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione?
5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 358.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7R)-3-(4-fluoro-2-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11552203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).