Metabolite Niraparib M1 metabolite
- Name
- Niraparib M1 metabolite
- Description
- Not Available
- Structure
Structure for Niraparib M1 metabolite
- Synonyms
- Not Available
- UNII
- UXM824C9GS
- CAS number
- Not Available
- Weight
- Average: 321.38
Monoisotopic: 321.147726864 - Chemical Formula
- C19H19N3O2
- InChI Key
- HDQHGRLURKGIFL-CQSZACIVSA-N
- InChI
- InChI=1S/C19H19N3O2/c23-19(24)17-5-1-3-15-12-22(21-18(15)17)16-8-6-13(7-9-16)14-4-2-10-20-11-14/h1,3,5-9,12,14,20H,2,4,10-11H2,(H,23,24)/t14-/m1/s1
- IUPAC Name
- 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxylic acid
- SMILES
- OC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 58990823
- BindingDB
- 50084624
- ChEMBL
- CHEMBL3427055
- ZINC
- ZINC000299851605
- Predicted Properties
Property Value Source Water Solubility 0.0141 mg/mL ALOGPS logP 1.81 ALOGPS logP 0.8 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 3.45 Chemaxon pKa (Strongest Basic) 10.09 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 67.15 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 93.1 m3·mol-1 Chemaxon Polarizability 35.97 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon