AG005FH6

717906-29-1 | N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide

AG005FH6

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CAS Number	717906-29-1
Catalog Number	AG005FH6(AGN-PC-00CDNA)
Chemical Name	N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
IUPAC Name	N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
InChI	InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
InChI Key	POJZIZBONPAWIV-UHFFFAOYSA-N
MDL Number	MFCD16038300
Molecular Formula	C22H21F3N6O3S
Molecular Weight	506.5007
SMILES	O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1ccccc1N(S(=O)(=O)C)C)C(F)(F)F
Synonyms	717906-29-1, PF-431396, PF 431396, PF431396, N-METHYL-N-[2-[[[2-[(2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)AMINO]-5-TRIFLUOROMETHYLPYRIMIDIN-4-YL]AMINO]METHYL]PHENYL]METHANESULFONAMIDE, CHEMBL472212, N-methyl-N-(2-((2-(2-oxoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)phenyl)methanesulfonamide, N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, C22H21F3N6O3S, N-[2-[[[2-[(2,3-Dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]-N-methyl-methanesulfonamide, N-Methyl-N-(2-(((2-((2-oxoindolin-5-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide, N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide, 3fzr, N-methyl-N-[2-[[[2-[(2-oxoindolin-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide, SCHEMBL3144824, CHEBI:91388, CTK8E6512, AOB6096, DTXSID50469204, EX-A787, SYN1063, BCPP000115, HMS3244D04, HMS3244D08, HMS3244D12, BCP01974, 2637AH, ABP000510, BDBM50246060, MFCD16038300, RS0084, s7644, ZINC29046741, AKOS022184299, ACN-053032, CCG-221509, CS-0250, NCGC00370948-06, AJ-83617, AK-88152, AN-27479, AS-16219, BC638627, EN002867, HY-10460, N-Methyl-N-[2-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamide, SC-96639, DB-074476, A8692, FT-0673545, 906M291, J-523689, BRD-K93788137-001-01-7, PF-431396|717906-29-1|PF431396, N-[2-[[[2-[(2,3-Dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]-N-methylmethanesulfonamide, N-Methyl-n-(2-((2-(2-oxondoln-5-ylamno)-5-(trfluoromethyl)pyrmdn-4-ylamno)methyl)phenyl)methanesulfonamde, N-Methyl-N-[2-[[[2-[(2,3-dihydro-2- oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyr imidinyl]amino]methyl]phenyl]methanesulfonamide, cc-292, CHEMBL541649, POJZIZBONPAWIV-UHFFFAOYSA-N, CID11598628, CID 11598628, A11142,

Complexity	854
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	506.135g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	506.504g/mol
Monoisotopic Mass	506.135g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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