Mardepodect succinateProduct ingredient for Mardepodect
- Name
- Mardepodect succinate
- Drug Entry
- Mardepodect
- Accession Number
- DBSALT003230
- Structure
Structure for Mardepodect succinate (DBSALT003230)
- Synonyms
- 2-((4-(1-Methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)quinolinesuccinate / 2-[4-(1-Methyl-4-Pyridin-4-Yl-1H-Pyrazol-3-Yl)-Phenoxymethyl]-Quinoline Succinic Acid / Quinoline, 2-((4-(1-methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl)phenoxy)methyl)-, butanedioate (1:1)
- UNII
- TJ5KAZ8T5G
- CAS Number
- 1037309-45-7
- Weight
- Average: 510.55
Monoisotopic: 510.190319953 - Chemical Formula
- C29H26N4O5
- InChI Key
- AVSAEIJRBBJXNR-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H20N4O.C4H6O4/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21;5-3(6)1-2-4(7)8/h2-16H,17H2,1H3;1-2H2,(H,5,6)(H,7,8)
- IUPAC Name
- 2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline; butanedioic acid
- SMILES
- OC(=O)CCC(O)=O.CN1C=C(C(=N1)C1=CC=C(OCC2=NC3=CC=CC=C3C=C2)C=C1)C1=CC=NC=C1
- External Links
- ChemSpider
- 28535050
- Predicted Properties
Property Value Source Water Solubility 0.00149 mg/mL ALOGPS logP 5.01 ALOGPS logP 4.67 Chemaxon logS -5.4 ALOGPS pKa (Strongest Basic) 4.31 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 52.83 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 127.18 m3·mol-1 Chemaxon Polarizability 43.9 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon