Metabolite M2 iptacopan
- Name
- M2 iptacopan
- Description
- Not Available
- Structure
Structure for M2 iptacopan
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 394.471
Monoisotopic: 394.189257325 - Chemical Formula
- C23H26N2O4
- InChI Key
- BDYAWFURHKPDFJ-PXNSSMCTSA-N
- InChI
- InChI=1S/C23H26N2O4/c1-14-11-21(29-2)19(18-7-9-24-22(14)18)13-25-10-8-17(26)12-20(25)15-3-5-16(6-4-15)23(27)28/h3-7,9,11,17,20,24,26H,8,10,12-13H2,1-2H3,(H,27,28)/t17-,20-/m0/s1
- IUPAC Name
- 4-[(2S,4S)-4-hydroxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
- SMILES
- COC1=C(CN2CC[C@H](O)C[C@H]2C2=CC=C(C=C2)C(O)=O)C2=C(NC=C2)C(C)=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 0.4 Chemaxon pKa (Strongest Acidic) 3.68 Chemaxon pKa (Strongest Basic) 8.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 85.79 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 112.45 m3·mol-1 Chemaxon Polarizability 42.84 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