Metabolite Copanlisib M21 metabolite
- Name
- Copanlisib M21 metabolite
- Description
- Not Available
- Structure
Structure for Copanlisib M21 metabolite
- Synonyms
- Not Available
- UNII
- RTW1LKQ7TC
- CAS number
- Not Available
- Weight
- Average: 482.501
Monoisotopic: 482.202615969 - Chemical Formula
- C22H26N8O5
- InChI Key
- GBAWZLUDIKNBLK-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H26N8O5/c1-34-18-16(35-10-2-6-29(13-32)8-9-31)4-3-15-17(18)27-22(30-7-5-24-19(15)30)28-20(33)14-11-25-21(23)26-12-14/h3-4,11-13,31H,2,5-10H2,1H3,(H2,23,25,26)(H,27,28,33)
- IUPAC Name
- 2-amino-N-(8-{3-[N-(2-hydroxyethyl)formamido]propoxy}-7-methoxy-2H,3H-imidazo[1,2-c]quinazolin-5-yl)pyrimidine-5-carboxamide
- SMILES
- COC1=C(OCCCN(CCO)C=O)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
- 68007229
- Predicted Properties
Property Value Source logP -1.1 Chemaxon pKa (Strongest Acidic) 10.16 Chemaxon pKa (Strongest Basic) 7.38 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 167.86 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 129.78 m3·mol-1 Chemaxon Polarizability 50.72 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