SPH-4336Product ingredient for N-(4-(1-cyclopropyl-4-fluoro-2-methyl-1H-benzo(d)imidazol-6-yl)-5-fluoropyrimidin-2-yl)-6-(2-(dimethylamino)ethyl)-5,6,7,8-tetrahydro-l,6-naphthyridin-2-amine
- Name
- SPH-4336
- Drug Entry
- N-(4-(1-cyclopropyl-4-fluoro-2-methyl-1H-benzo(d)imidazol-6-yl)-5-fluoropyrimidin-2-yl)-6-(2-(dimethylamino)ethyl)-5,6,7,8-tetrahydro-l,6-naphthyridin-2-amine
- Accession Number
- DBSALT003438
- Structure
Structure for SPH-4336 (DBSALT003438)
- Synonyms
- N-(4-(1-cyclopropyl-4-fluoro-2-methyl-1H-benzo[d]imidazol-6-yl)-5-fluoropyrimidin-2-yl)-6-(2-(dimethylamino)ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine maleate
- External IDs
- SPH 4336 / SPH-4336 / SPH4336
- UNII
- 9X8U786V5T
- CAS Number
- 2765997-88-2
- Weight
- Average: 620.662
Monoisotopic: 620.267107933 - Chemical Formula
- C31H34F2N8O4
- InChI Key
- QCKCFHAHQYPXKS-BTJKTKAUSA-N
- InChI
- InChI=1S/C27H30F2N8.C4H4O4/c1-16-31-26-20(28)12-18(13-23(26)37(16)19-5-6-19)25-21(29)14-30-27(34-25)33-24-7-4-17-15-36(11-10-35(2)3)9-8-22(17)32-24;5-3(6)1-2-4(7)8/h4,7,12-14,19H,5-6,8-11,15H2,1-3H3,(H,30,32,33,34);1-2H,(H,5,6)(H,7,8)/b;2-1-
- IUPAC Name
- (2Z)-but-2-enedioic acid; N-[4-(1-cyclopropyl-4-fluoro-2-methyl-1H-1,3-benzodiazol-6-yl)-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
- SMILES
- OC(=O)\C=C/C(O)=O.CN(C)CCN1CCC2=C(C1)C=CC(NC1=NC=C(F)C(=N1)C1=CC(F)=C3N=C(C)N(C4CC4)C3=C1)=N2
- External Links
- Not Available
- Predicted Properties
Property Value Source logP 3.72 Chemaxon pKa (Strongest Acidic) 9.54 Chemaxon pKa (Strongest Basic) 8.75 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 75 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 139.26 m3·mol-1 Chemaxon Polarizability 54.31 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon