AG0015PI

1217486-61-7 | 1,2-Pyrrolidinedicarboxamide, N1-[4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-, (2S)-

AG0015PI

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CAS Number	1217486-61-7
Catalog Number	AG0015PI(AGN-PC-0WA1WV)
Chemical Name	1,2-Pyrrolidinedicarboxamide, N1-[4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-, (2S)-
IUPAC Name	(2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
InChI	InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
InChI Key	STUWGJZDJHPWGZ-LBPRGKRZSA-N
MDL Number	MFCD22417085
Molecular Formula	C19H22F3N5O2S
Molecular Weight	441.4705
SMILES	Cc1c(c2cc(C(C(F)(F)F)(C)C)ncc2)sc(n1)NC(=O)N1[C@H](C(=O)N)CCC1
UNII	08W5N2C97Q
Synonyms	Alpelisib, BYL719, NVP-BYL719, alpelisib, 1217486-61-7, BYL-719, BYL719, Alpelisib (BYL719), NVP-BYL719, UNII-08W5N2C97Q, (S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide, BYL 719, (2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamide, CHEMBL2396661, 08W5N2C97Q, C19H22F3N5O2S, (2s)-N~1~-{4-Methyl-5-[2-(1,1,1-Trifluoro-2-Methylpropan-2-Yl)pyridin-4-Yl]-1,3-Thiazol-2-Yl}pyrrolidine-1,2-Dicarboxamide, (S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)-pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide, 1,2-Pyrrolidinedicarboxamide, N1-(4-methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl)-2-thiazolyl)-, (2S)-, 4jps, 1,2-PYRROLIDINEDICARBOXAMIDE, N1-[4-METHYL-5-[2-(2,2,2-TRIFLUORO-1,1-DIMETHYLETHYL)-4-PYRIDINYL]-2-THIAZOLYL]-, (2S)-, AK146107, Alpelisib [USAN:INN], QCR-1, Alpelisib (JAN/USAN/INN), pyrrolidine-1,2-dicarboxamide, GTPL7955, SCHEMBL1911869, CHEBI:93752, DTXSID70153355, EX-A405, BYL 719; BYL719, (2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide, AOB87192, NVP-BYL719 (BYL719), 2294AH, BDBM50436459, MFCD22417085, s2814, ZINC68198368, AKOS022186315, CS-0663, DB12015, SB16575, NCGC00346717-03, (S)-Pyrrolidine-1,2-dicarboxylic acid 2-amide 1-(4-methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-pyridin-4-yl)thiazol-2-yl)amide, AS-16349, BC600512, HY-15244, AB0094905, AJ-117079, AX8283797, SW220128-1, cas:1217486-61-7;BYL-719, D11011, W-5917, J-004627, (S)-N1-(4-methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl), (2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidine, 1217486-47-9, 1LT, BYL-719|||(2S)-1-N-[4-Methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide, Alpelisib [INN], 1,11-Diaminoundecane, D0W7HE, cc-697, A8346, A11328, Alpelisib, 98%, a potent and selective PI3Kalpha inhibitor - 100MG 100mg,

Complexity	663
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	441.145g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	441.473g/mol
Monoisotopic Mass	441.145g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	129A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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