R-1487 hydrochlorideProduct ingredient for R-1487
- Name
- R-1487 hydrochloride
- Drug Entry
- R-1487
- Accession Number
- DBSALT002801
- Structure
Structure for R-1487 hydrochloride (DBSALT002801)
- Synonyms
- Not Available
- External IDs
- R-1487 hydrochloride
- UNII
- E89N7YW9YQ
- CAS Number
- Not Available
- Weight
- Average: 424.83
Monoisotopic: 424.1113745 - Chemical Formula
- C19H19ClF2N4O3
- InChI Key
- RQHSAIGGUWVOBG-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H18F2N4O3.ClH/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21;/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24);1H
- IUPAC Name
- 6-(2,4-difluorophenoxy)-8-methyl-2-[(oxan-4-yl)amino]-7H,8H-pyrido[2,3-d]pyrimidin-7-one hydrochloride
- SMILES
- Cl.CN1C(=O)C(OC2=CC=C(F)C=C2F)=CC2=C1N=C(NC1CCOCC1)N=C2
- External Links
- ChemSpider
- 26347766
- ChEMBL
- CHEMBL1766582
- Predicted Properties
Property Value Source Water Solubility 0.0618 mg/mL ALOGPS logP 3.17 ALOGPS logP 2.09 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 14.77 Chemaxon pKa (Strongest Basic) 2.56 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 76.58 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 100.65 m3·mol-1 Chemaxon Polarizability 36.9 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 No Chemaxon