KF-1601 dihydrochlorideProduct ingredient for KF-1601
- Name
- KF-1601 dihydrochloride
- Drug Entry
- KF-1601
- Accession Number
- DBSALT003437
- Structure
Structure for KF-1601 dihydrochloride (DBSALT003437)
- Synonyms
- KF1601 dihydrochloride / N-(3-(2-cyanopropan-2-yl)-5-(4-methyl-1H-imidazol-1-yl)phenyl)-2-fluoro-4-methyl-5-((8-((1-methyl-1H-pyrazol-4-yl)amino)imidazo[1,2-a]pyridin-3-yl)ethynyl)benzamide dihydrochloride
- UNII
- 5MWF2X9XSZ
- CAS Number
- Not Available
- Weight
- Average: 684.6
Monoisotopic: 683.2090902 - Chemical Formula
- C35H32Cl2FN9O
- InChI Key
- RLNVXPNBWIJORT-UHFFFAOYSA-N
- InChI
- InChI=1S/C35H30FN9O.2ClH/c1-22-11-31(36)30(34(46)42-26-13-25(35(3,4)20-37)14-29(15-26)44-18-23(2)39-21-44)12-24(22)8-9-28-17-38-33-32(7-6-10-45(28)33)41-27-16-40-43(5)19-27;;/h6-7,10-19,21,41H,1-5H3,(H,42,46);2*1H
- IUPAC Name
- N-[3-(1-cyano-1-methylethyl)-5-(4-methyl-1H-imidazol-1-yl)phenyl]-2-fluoro-4-methyl-5-(2-{8-[(1-methyl-1H-pyrazol-4-yl)amino]imidazo[1,2-a]pyridin-3-yl}ethynyl)benzamide dihydrochloride
- SMILES
- Cl.Cl.CN1C=C(NC2=CC=CN3C(=CN=C23)C#CC2=C(C)C=C(F)C(=C2)C(=O)NC2=CC(=CC(=C2)C(C)(C)C#N)N2C=NC(C)=C2)C=N1
- External Links
- Not Available
- Predicted Properties
Property Value Source logP 5.11 Chemaxon pKa (Strongest Acidic) 14.29 Chemaxon pKa (Strongest Basic) 6.21 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 117.86 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 193.73 m3·mol-1 Chemaxon Polarizability 67.82 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon