AG000JSD

1229236-86-5 | Imidazo[1,2-b]pyridazin-6-amine, 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-

AG000JSD

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CAS Number	1229236-86-5
Catalog Number	AG000JSD(AGN-PC-07NAAI)
Chemical Name	Imidazo[1,2-b]pyridazin-6-amine, 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-
IUPAC Name	3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
InChI	InChI=1S/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)
InChI Key	SQSZANZGUXWJEA-UHFFFAOYSA-N
MDL Number	MFCD20482143
Molecular Formula	C23H25ClFN7O
Molecular Weight	469.9423
SMILES	CC1=CC(NC2=NN3C(C(CN4CCOCC4)=C2)=NC(C)=C3CC5=CC=C(Cl)C=C5F)=NN1
UNII	ANC71R916O
Synonyms	3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholinomethyl)imidazo(1,2-b)pyridazin-6-amine, LY2784544, LY2784544, 1229236-86-5, GANDOTINIB, LY 2784544, LY-2784544, Gandotinib (LY2784544), UNII-ANC71R916O, LY2784544(Gandotinib), ANC71R916O, 3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine, C23H25ClFN7O, 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, 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine, Gandotinib [USAN:INN], Gandotinib (USAN), cc-18, LY2784544;Gandotinib, Gandotinib(LY2784544), GTPL7909, SCHEMBL2513132, CHEMBL2107823, SCHEMBL15458955, DTXSID20153789, SYN1196, SQSZANZGUXWJEA-UHFFFAOYSA-N, HMS3655L06, AOB87108, BCP02309, EX-A1114, KS-000005OJ, ABP000830, MFCD20482143, s2179, ZINC68245097, AKOS026673949, BCP9000875, CS-0426, DB13040, QC-8978, RL01055, SB13346, NCGC00345461-02, NCGC00345461-08, 3-((4-Chloro-2-fluorophenyl)methyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8- (morpholin-4-ylmethyl)imidazo(1,2-b)pyridazin-6-amine, 3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8- (morpholinomethyl)imidazo(1,2-b)pyridazin-6-amine, 4CA-0779, AK198690, AS-16329, BC659993, HY-13034, Imidazo(1,2-b)pyridazin-6-amine, 3-((4-chloro-2-fluorophenyl)methyl)-2-methyl-N-(5- methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-, SC-85765, FT-0700131, SW219960-1, X7498, D10365, W-5804, J-511428, [3-(4-Chloro-2-fluoro-benzyl)-2-methyl-8-morpholin-4-ylmethyl-imidazo[1,2-b]pyridazin-6-yl]-(5-methyl-2h-pyrazol-3-yl)-amine, Imidazo[1,2-b]pyridazin-6-amine, 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-, N-{3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-yl}-5-methyl-2H-pyrazol-3-amine, Gandotinib [USAN], D05TSJ, A4147, A10546, C581039, 3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholinomethyl)imidazo(1,2-b)pyridazin-6-amine,

Complexity	644
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	469.179g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	469.949g/mol
Monoisotopic Mass	469.179g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	83.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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