N-{2-fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}-N-methylacetamide

• ChemBase ID: 128112
• Molecular Formular: C20H15FN4O2S
• Molecular Mass: 394.4221032
• Monoisotopic Mass: 394.08997496
• SMILES: O=C(c1cnn2c(c3ccc(F)c(N(C(=O)C)C)c3)ccnc12)c1sccc1
• Canonical SMILES: CC(=O)N(c1cc(ccc1F)c1ccnc2n1ncc2C(=O)c1cccs1)C
• InChI: InChI=1S/C20H15FN4O2S/c1-12(26)24(2)17-10-13(5-6-15(17)21)16-7-8-22-20-14(11-23-25(16)20)19(27)18-4-3-9-28-18/h3-11H,1-2H3
• InChIKey: NQPOCLFSADOXBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}-N-methylacetamide
• IUPAC Traditional name: lorediplon
• Synonyms: Lorediplon

Database IDs

• CAS Number: 917393-39-6
• PubChem SID: 162222426
• PubChem CID: 12004146
• Chemspider ID: 10176613
• Wikipedia Title: Lorediplon

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8369079
• LogD (pH = 7.4): 2.836912
• Log P: 2.836912
• Molar Refractivity: 114.448 cm^3
• Polarizability: 40.04978 Å^3
• Polar Surface Area: 67.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Non-regulated