Products Categories
CAS No.: | 1229236-86-5 |
---|---|
Name: | LY 2784544 |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C23H25ClFN7O |
Molecular Weight: | 469.949 |
Synonyms: | LY 2784544;3-[(4-Chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(4-chloro-2-fluorobenzyl)-2-Methyl-N-(3-Methyl-1H-pyrazol-5-yl)-8-(MorpholinoMethyl)iMidazo[1,2-b]pyridazin-6-aMine |
Density: | 1.459 g/cm3 |
PSA: | 86.60000 |
LogP: | 3.38810 |
The CAS registry number of LY 2784544 is 1229236-86-5. The IUPAC name is 3-[(4-chloro-2-fluoro-phenyl)methyl]-2-methyl-N-(3-methyl-1H-pyrazol-5-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine. In addition, the molecular formula is C23H25ClFN7O and the molecular weight is 469.94.
Physical properties about LY 2784544 are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.408; (4)ACD/LogD (pH 7.4): 3.188; (5)ACD/BCF (pH 5.5): 25.487; (6)ACD/BCF (pH 7.4): 153.454; (7)ACD/KOC (pH 5.5): 208.347; (8)ACD/KOC (pH 7.4): 1254.427; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 83.37 Å2; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 124.474 cm3; (15)Molar Volume: 322.004 cm3; (16)Polarizability: 49.345 ×10-24cm3; (17)Surface Tension: 52.953 dyne/cm; (18)Density: 1.459 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc([nH]n1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5
(2)InChI: InChI=1/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)
(3)InChIKey: SQSZANZGUXWJEA-UHFFFAOYAQ