AG000OOS

1257704-57-6 | [1,2,4]Triazolo[1,5-a]pyridin-2-amine, N-[3-(4-methyl-1-piperazinyl)phenyl]-8-[4-(methylsulfonyl)phenyl]-

AG000OOS

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CAS Number	1257704-57-6
Catalog Number	AG000OOS(AGN-PC-0BS0IQ)
Chemical Name	[1,2,4]Triazolo[1,5-a]pyridin-2-amine, N-[3-(4-methyl-1-piperazinyl)phenyl]-8-[4-(methylsulfonyl)phenyl]-
IUPAC Name	N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
InChI	InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
InChI Key	RFZKSQIFOZZIAQ-UHFFFAOYSA-N
MDL Number	MFCD22683932
Molecular Formula	C24H26N6O2S
Molecular Weight	462.5672
SMILES	O=S(C1=CC=C(C2=CC=CN3C2=NC(NC4=CC=CC(N5CCN(C)CC5)=C4)=N3)C=C1)(C)=O
Synonyms	CEP 33779, CEP-33779, CEP33779, CEP-33779, 1257704-57-6, CEP33779, CHEMBL2062804, N-(3-(4-methylpiperazin-1-yl)phenyl)-8-(4-(methylsulfonyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine, C24H26N6O2S, 1346168-57-7, N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine, RFZKSQIFOZZIAQ-UHFFFAOYSA-N, MLS006011248, GTPL9387, SCHEMBL2634485, BDBM99537, DTXSID30720926, SYN1156, HMS3651D13, BCP27756, EX-A1032, 2311AH, MFCD22683932, s2806, ZINC84727467, AKOS025404934, CS-3439, SB19296, compound 29 [PMID: 22594690], NCGC00345854-01, NCGC00345854-06, AK174934, AS-16293, HY-15343, QC-11697, SMR004703007, SW219454-1, US8501936, 35, [1,2,4]Triazolo[1,5-a]pyridin-2-amine, N-[3-(4-methyl-1-piperazinyl)phenyl]-8-[4-(methylsulfonyl)phenyl]-, [8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine, 8-[4-(Methanesulfonyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, N-[3-(4-Methyl-1-piperazinyl)phenyl]-8-[4-(methylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine, CEP 33779, A4146, A12808, C567989,

Complexity	745
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	462.184g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	462.572g/mol
Monoisotopic Mass	462.184g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	91.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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

Lot Number