Mivavotinib hydrochlorideProduct ingredient for Mivavotinib
- Name
- Mivavotinib hydrochloride
- Drug Entry
- Mivavotinib
- Accession Number
- DBSALT003220
- Structure
Structure for Mivavotinib hydrochloride (DBSALT003220)
- Synonyms
- Mivavotinib HCl / TAK-659 HCl / TAK-659 hydrochloride
- UNII
- Not Available
- CAS Number
- 1952251-28-3
- Weight
- Average: 380.85
Monoisotopic: 380.1527652 - Chemical Formula
- C17H22ClFN6O
- InChI Key
- PTCFBXMEFRIEGV-ZVWHLABXSA-N
- InChI
- InChI=1S/C17H21FN6O.ClH/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19;/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23);1H/t11-,12+;/m0./s1
- IUPAC Name
- 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1H,2H,3H-pyrrolo[3,4-c]pyridin-3-one hydrochloride
- SMILES
- Cl.CN1C=C(C=N1)C1=C2C(=O)NCC2=C(F)C(N[C@@H]2CCCC[C@@H]2N)=N1
- External Links
- ChemSpider
- 65017739
- Predicted Properties
Property Value Source Water Solubility 0.353 mg/mL ALOGPS logP 1.33 ALOGPS logP 0.87 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 12.7 Chemaxon pKa (Strongest Basic) 9.91 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 97.86 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 104.86 m3·mol-1 Chemaxon Polarizability 35.86 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