Exarafenib hydrochlorideProduct ingredient for Exarafenib
- Name
- Exarafenib hydrochloride
- Drug Entry
- Exarafenib
- Accession Number
- DBSALT003335
- Structure
Structure for Exarafenib hydrochloride (DBSALT003335)
- Synonyms
- 1-Pyrrolidinecarboxamide, N-[3-[2-[[(1R)-2-hydroxy-1-methylethyl]amino]-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)-, (3S)-, hydrochloride / N-[3-[2-[(1R)-1-Hydroxypropan-2-ylamino]-6-(4- morpholinyl)-4-pyridinyl]-4-methylphenyl]-(3S)-3-(2,2,2-trifluoroethyl)-1- pyrrolidine carboxamide hydrochloride. / N-[3-[2-[(1R)-1-Hydroxypropan-2-ylamino]-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl]-(3S)-3-(2,2,2-trifluoroethyl)-1-pyrrolidine carboxamide hydrochloride
- External IDs
- KIN 2787 / KIN-2787 / KIN2787
- UNII
- 5RHX544GEH
- CAS Number
- Not Available
- Weight
- Average: 558.04
Monoisotopic: 557.2380522 - Chemical Formula
- C26H35ClF3N5O3
- InChI Key
- DTAKPQLNXDAFGP-VOMIJIAVSA-N
- InChI
- InChI=1S/C26H34F3N5O3.ClH/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33;/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36);1H/t18-,19+;/m1./s1
- IUPAC Name
- (3S)-N-[3-(2-{[(2R)-1-hydroxypropan-2-yl]amino}-6-(morpholin-4-yl)pyridin-4-yl)-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide hydrochloride
- SMILES
- Cl.C[C@H](CO)NC1=NC(=CC(=C1)C1=C(C)C=CC(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)=C1)N1CCOCC1
- External Links
- ChemSpider
- 129235144
- Predicted Properties
Property Value Source logP 3.95 Chemaxon pKa (Strongest Acidic) 13.64 Chemaxon pKa (Strongest Basic) 7.97 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 89.96 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 139.84 m3·mol-1 Chemaxon Polarizability 53.59 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon