indiplon   

GtoPdb Ligand ID: 4221

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 95.81
Molecular weight 376.1
XLogP 2.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(=O)N(c1cccc(c1)c1ccnc2n1ncc2C(=O)c1cccs1)C
Isomeric SMILES CC(=O)N(c1cccc(c1)c1ccnc2n1ncc2C(=O)c1cccs1)C
InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
InChI Key CBIAWPMZSFFRGN-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-methyl-N-(3-{3-[(thiophen-2-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-7-yl}phenyl)acetamide
International Nonproprietary Names
INN number INN
8200 indiplon
Database Links
CAS Registry No. 325715-02-4 (source: Scifinder)
ChEMBL Ligand CHEMBL262075
GtoPdb PubChem SID 178101038
PubChem CID 6450813
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Tocris
Indiplon
Cat. No. 3597