AG008TJV

1000787-75-6 | 5-((6-(2,4-Bis(trifluoromethyl)phenyl)pyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine

AG008TJV

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CAS Number	1000787-75-6
Catalog Number	AG008TJV(AGN-PC-0OPE6I)
Chemical Name	5-((6-(2,4-Bis(trifluoromethyl)phenyl)pyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine
IUPAC Name	5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
InChI	InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2
InChI Key	XBEQSQDCBSKCHJ-UHFFFAOYSA-N
MDL Number	MFCD18251457
Molecular Formula	C25H14F7N5
Molecular Weight	517.4010
SMILES	FC(C1=C(C=CC(=C1)C(F)(F)F)C1=CC=C(N=N1)CN1C=C2C(C=C1)=NC(=N2)C2=C(C=CC=C2)F)(F)F
UNII	5NOK5X389M
Synonyms	GS-9190, tegobuvir, Tegobuvir, 1000787-75-6, UNII-5NOK5X389M, 5-((6-(2,4-bis(Trifluoromethyl)phenyl)pyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine, 5NOK5X389M, GS-9190, GS-333126, W-204340, 5H-Imidazo[4,5-c]pyridine, 5-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridazinyl]methyl]-2-(2-fluorophenyl)-;5H-Imidazo[4,5-c]pyridine, 5-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridazinyl]methyl]-2-(2-fluorophenyl)-, Tegobuvir [USAN:INN], GS 9190, GS 333126, Tegobuvir (USAN/INN), SCHEMBL496778, CHEMBL1957287, DTXSID80142917, C25H14F7N5, BCP28163, 4092AH, MFCD18251457, AKOS015949531, API0013922, CS-0672, DB11852, RP08100, SB16972, NCGC00378881-01, HY-10544, D09971, W-5728, J-516048, 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine, 5H-Imidazo[4,5-c]pyridine, 5-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridazinyl]methyl]-2-(2-fluorophenyl)-, Tegobuvir [USN:INN], D09RVI, A3864, A11583,

Complexity	765
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	517.114g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	517.411g/mol
Monoisotopic Mass	517.114g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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