LDN-193189 monohydrochlorideProduct ingredient for LDN-193189
- Name
- LDN-193189 monohydrochloride
- Drug Entry
- LDN-193189
- Accession Number
- DBSALT003399
- Structure
Structure for LDN-193189 monohydrochloride (DBSALT003399)
- Synonyms
- 4-(6-(4-(piperazin-1-yl)phenyl_pyrazolo[1,5-a]pyrimidin-3-yl)quinoline hydrochloride / 4-(6-(4-(PIPERAZIN-1-YL)PHENYL-PYRAZOLO(1,5-A)PYRIMIDIN-3-YL)QUINOLINE HYDROCHLORIDE / QUINOLINE, 4-(6-(4-(1-PIPERAZINYL)PHENYL)PYRAZOLO(1,5-A)PYRIMIDIN-3-YL)-, HYDROCHLORIDE (1:1)
- UNII
- PLH51K438W
- CAS Number
- 1062368-62-0
- Weight
- Average: 442.95
Monoisotopic: 442.1672725 - Chemical Formula
- C25H23ClN6
- InChI Key
- PCCDKTWDGDFRME-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H22N6.ClH/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;/h1-10,15-17,26H,11-14H2;1H
- IUPAC Name
- 4-{6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline hydrochloride
- SMILES
- Cl.C1CN(CCN1)C1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC2=CC=CC=C12
- External Links
- ChemSpider
- 26324872
- Predicted Properties
Property Value Source logP 3.68 Chemaxon pKa (Strongest Basic) 8.85 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 58.35 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 133.15 m3·mol-1 Chemaxon Polarizability 46 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon