Metabolite Copanlisib M4 metabolite
- Name
- Copanlisib M4 metabolite
- Description
- Not Available
- Structure
Structure for Copanlisib M4 metabolite
- Synonyms
- Not Available
- UNII
- QY9D7067E8
- CAS number
- Not Available
- Weight
- Average: 353.342
Monoisotopic: 353.123637371 - Chemical Formula
- C16H15N7O3
- InChI Key
- JJASPVQDDJFWOZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H15N7O3/c1-26-12-10(24)3-2-9-11(12)21-16(23-5-4-18-13(9)23)22-14(25)8-6-19-15(17)20-7-8/h2-3,6-7,24H,4-5H2,1H3,(H2,17,19,20)(H,21,22,25)
- IUPAC Name
- 2-amino-N-{8-hydroxy-7-methoxy-2H,3H-imidazo[1,2-c]quinazolin-5-yl}pyrimidine-5-carboxamide
- SMILES
- COC1=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
- 68007204
- Predicted Properties
Property Value Source logP 0.036 Chemaxon pKa (Strongest Acidic) 8.88 Chemaxon pKa (Strongest Basic) 7.39 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 138.32 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 96.34 m3·mol-1 Chemaxon Polarizability 35.36 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