AG001NWW

1554458-53-5 | Benzamide, N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methyl-

AG001NWW

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CAS Number	1554458-53-5
Catalog Number	AG001NWW(AGN-PC-0WD8DE)
Chemical Name	Benzamide, N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methyl-
IUPAC Name	N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
InChI	InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)
InChI Key	WNEILUNVMHVMPH-UHFFFAOYSA-N
MDL Number	MFCD30502614
Molecular Formula	C27H24F5N5O3
Molecular Weight	561.5032
SMILES	C1(CC1)NC(C1=C(C=C(C=C1)C1=CN=C2N1N=C(C=C2NCCC(F)(F)F)OC2=C(C(=C(C=C2)OC)F)F)C)=O
UNII	M964LB1114
Synonyms	1554458-53-5, BAY1217389, Bay 1217389, BAY-1217389, UNII-M964LB1114, M964LB1114, Benzamide, N-cyclopropyl-4-(6-(2,3-difluoro-4-methoxyphenoxy)-8-((3,3,3-trifluoropropyl)amino)imidazo(1,2-b)pyridazin-3-yl)-2-methyl-, Benzamide, N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methyl-, SCHEMBL15555839, EX-A948, BDBM258444, BCP17401, s8215, AKOS032944938, ZINC221039372, CS-6182, HY-12859, FT-0700219, US9512130, 2, J-690208, 1-(6-Isoquinolinyl)-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]urea, N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide, WNEILUNVMHVMPH-UHFFFAOYSA-N, N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide,

Complexity	867
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	561.18g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	561.513g/mol
Monoisotopic Mass	561.18g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	89.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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