Denfivontinib hydrochlorideProduct ingredient for Denfivontinib
- Name
- Denfivontinib hydrochloride
- Drug Entry
- Denfivontinib
- Accession Number
- DBSALT003294
- Structure
Structure for Denfivontinib hydrochloride (DBSALT003294)
- Synonyms
- 8-bromo-2-(1-methylpiperidin-4-yl) amino)-4-(4-phenoxyphenyl) amino) pyrido[4,3-d] pyrimidin-5(6H)-one hydrochloride / G-749 hydrochloride
- UNII
- 01ZQ25VJAL
- CAS Number
- 1457983-33-3
- Weight
- Average: 557.88
Monoisotopic: 556.098915 - Chemical Formula
- C25H26BrClN6O2
- InChI Key
- UDYYCTJUUMIMHX-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H25BrN6O2.ClH/c1-32-13-11-17(12-14-32)29-25-30-22-20(26)15-27-24(33)21(22)23(31-25)28-16-7-9-19(10-8-16)34-18-5-3-2-4-6-18;/h2-10,15,17H,11-14H2,1H3,(H,27,33)(H2,28,29,30,31);1H
- IUPAC Name
- 8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-[(4-phenoxyphenyl)amino]-5H,6H-pyrido[4,3-d]pyrimidin-5-one hydrochloride
- SMILES
- Cl.CN1CCC(CC1)NC1=NC(NC2=CC=C(OC3=CC=CC=C3)C=C2)=C2C(=O)NC=C(Br)C2=N1
- External Links
- ChemSpider
- 29784147
- Predicted Properties
Property Value Source logP 5.04 Chemaxon pKa (Strongest Acidic) 10.9 Chemaxon pKa (Strongest Basic) 8.94 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 91.41 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 137.89 m3·mol-1 Chemaxon Polarizability 51.66 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon