Metabolite Copanlisib M15 metabolite
- Name
- Copanlisib M15 metabolite
- Description
- Not Available
- Structure
Structure for Copanlisib M15 metabolite
- Synonyms
- Not Available
- UNII
- GC91Z6YS52
- CAS number
- Not Available
- Weight
- Average: 411.422
Monoisotopic: 411.165502184 - Chemical Formula
- C19H21N7O4
- InChI Key
- OTSALZZMTLGFLO-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H21N7O4/c1-29-15-13(30-8-2-7-27)4-3-12-14(15)24-19(26-6-5-21-16(12)26)25-17(28)11-9-22-18(20)23-10-11/h3-4,9-10,27H,2,5-8H2,1H3,(H2,20,22,23)(H,24,25,28)
- IUPAC Name
- 2-amino-N-[8-(3-hydroxypropoxy)-7-methoxy-2H,3H-imidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide
- SMILES
- COC1=C(OCCCO)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
- 68007064
- Predicted Properties
Property Value Source logP -0.3 Chemaxon pKa (Strongest Acidic) 10.16 Chemaxon pKa (Strongest Basic) 7.38 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 147.55 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 111.98 m3·mol-1 Chemaxon Polarizability 42.9 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