Metabolite M6 iptacopan
- Name
- M6 iptacopan
- Description
- Not Available
- Structure
Structure for M6 iptacopan
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 438.524
Monoisotopic: 438.215472074 - Chemical Formula
- C25H30N2O5
- InChI Key
- LIQCYWYQOYLXJK-UGKGYDQZSA-N
- InChI
- InChI=1S/C25H30N2O5/c1-3-32-19-9-11-27(22(13-19)16-4-6-17(7-5-16)25(29)30)14-21-20-8-10-26-24(20)18(15-28)12-23(21)31-2/h4-8,10,12,19,22,26,28H,3,9,11,13-15H2,1-2H3,(H,29,30)/t19-,22-/m0/s1
- IUPAC Name
- 4-[(2S,4S)-4-ethoxy-1-{[7-(hydroxymethyl)-5-methoxy-1H-indol-4-yl]methyl}piperidin-2-yl]benzoic acid
- SMILES
- CCO[C@H]1CCN(CC2=C(OC)C=C(CO)C3=C2C=CN3)[C@@H](C1)C1=CC=C(C=C1)C(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 0.12 Chemaxon pKa (Strongest Acidic) 3.7 Chemaxon pKa (Strongest Basic) 8.66 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 95.02 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 123.73 m3·mol-1 Chemaxon Polarizability 48.44 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 Yes Chemaxon