Metabolite Copanlisib M3 metabolite
- Name
- Copanlisib M3 metabolite
- Description
- Not Available
- Structure
Structure for Copanlisib M3 metabolite
- Synonyms
- Not Available
- UNII
- QYB71X85N4
- CAS number
- Not Available
- Weight
- Average: 454.491
Monoisotopic: 454.207701349 - Chemical Formula
- C21H26N8O4
- InChI Key
- MRKSMBKRMJMBJR-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H26N8O4/c1-32-17-15(33-10-2-5-23-7-9-30)4-3-14-16(17)27-21(29-8-6-24-18(14)29)28-19(31)13-11-25-20(22)26-12-13/h3-4,11-12,23,30H,2,5-10H2,1H3,(H2,22,25,26)(H,27,28,31)
- IUPAC Name
- 2-amino-N-(8-{3-[(2-hydroxyethyl)amino]propoxy}-7-methoxy-2H,3H-imidazo[1,2-c]quinazolin-5-yl)pyrimidine-5-carboxamide
- SMILES
- COC1=C(OCCCNCCO)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 68007205
- Predicted Properties
Property Value Source logP -0.92 Chemaxon pKa (Strongest Acidic) 10.2 Chemaxon pKa (Strongest Basic) 9.15 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 159.58 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 124.7 m3·mol-1 Chemaxon Polarizability 48.78 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon