Metabolite Niraparib M10 metabolite
- Name
- Niraparib M10 metabolite
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 497.504
Monoisotopic: 497.179814841 - Chemical Formula
- C25H27N3O8
- InChI Key
- QLJIZJVUPFUWAH-JVVMNHAGSA-N
- InChI
- InChI=1S/C25H27N3O8/c29-19-20(30)22(23(32)33)35-25(21(19)31)36-24(34)17-5-1-3-15-12-28(27-18(15)17)16-8-6-13(7-9-16)14-4-2-10-26-11-14/h1,3,5-9,12,14,19-22,25-26,29-31H,2,4,10-11H2,(H,32,33)/t14-,19?,20?,21?,22?,25?/m1/s1
- IUPAC Name
- 3,4,5-trihydroxy-6-(2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carbonyloxy)oxane-2-carboxylic acid
- SMILES
- OC1C(O)C(OC(=O)C2=CC=CC3=CN(N=C23)C2=CC=C(C=C2)[C@@H]2CCCNC2)OC(C1O)C(O)=O
- Reactions
- Niraparib Niraparib M1 metabolite
- Niraparib M1 metabolite Niraparib M10 metabolite
- Niraparib Niraparib M1 metabolite
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.114 mg/mL ALOGPS logP 1.01 ALOGPS logP -0.94 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 2.77 Chemaxon pKa (Strongest Basic) 10.08 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 163.37 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 125.4 m3·mol-1 Chemaxon Polarizability 51.77 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon