AG0017MJ

1226781-44-7 | 2H-Pyran-3-amine, 2-(2,5-difluorophenyl)-5-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-, (2R,3S,5R)-

AG0017MJ

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CAS Number	1226781-44-7
Catalog Number	AG0017MJ(AGN-PC-0WAE63)
Chemical Name	2H-Pyran-3-amine, 2-(2,5-difluorophenyl)-5-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-, (2R,3S,5R)-
IUPAC Name	(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
InChI	InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
InChI Key	MKMPWKUAHLTIBJ-ISTRZQFTSA-N
MDL Number	MFCD22573261
Molecular Formula	C17H20F2N4O3S
Molecular Weight	398.4275
SMILES	N[C@@H]1[C@@H](C2=CC(F)=CC=C2F)OC[C@H](N3CC4=NN(S(=O)(C)=O)C=C4C3)C1
UNII	CVP59Q4JE1
Synonyms	2-(2,5-difluorophenyl)-5-(2-(methylsulfonyl)-2,6-dihydropyrrolo(3,4-c)pyrazol-5(4H)-yl)tetrahydro-2H-pyran-3-amine, MK-3102, Omarigliptin, OMARIGLIPTIN, 1226781-44-7, MK-3102, MK3102, UNII-CVP59Q4JE1, Omarigliptin (MK-3102), CVP59Q4JE1, (2R,3S,5R)-2-(2,5-DIFLUOROPHENYL)-5-(2-(METHYLSULFONYL)PYRROLO[3,4-C]PYRAZOL-5(2H,4H,6H)-YL)TETRAHYDRO-2H-PYRAN-3-AMINE, (2R,3S,5R)-2-(2,5-Difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine, (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl)tetrahydro-2H-pyran-3-amine, Omarigliptin [USAN:INN], AK170357, Tube112, omarigliptin-mk-3102, Omarigliptin (MK-3102, SCHEMBL827590, AMBZ0104, GTPL8402, Omarigliptin (JAN/USAN/INN), C17H20F2N4O3S, CHEMBL2105762, DTXSID70153678, EX-A395, CHEBI:134735, MKMPWKUAHLTIBJ-ISTRZQFTSA-N, 9051AF, BDBM50003020, MFCD22573261, s8565, ZINC84758480, AKOS025289528, AM85511, CS-3948, DB11992, DS-7574, PB39113, SB10774, (2R,3S,5R)-2-(2,5-Difluorophenyl)-5-(2-(methanesulfonyl)-2,6-dihydropyrrolo(3,4- c)pyrazol-5(4H)-yl)oxan-3-amine, (2R,3S,5R)-2-(2,5-Difluorophenyl)-5-(2-(methylsulfonyl)-2,6-dihydropyrrolo(3,4- c)pyrazol-5(4H)-yl)tetrahydro-2H-pyran-3-amine, 2H-Pyran-3-amine, 2-(2,5-difluorophenyl)-5-(2,6-dihydro-2-(methylsulfonyl)pyrrolo(3,4- c)pyrazol-5(4H)-yl)tetrahydro-, (2R,3S,5R)-, 2H-Pyran-3-amine, 2-(2,5-difluorophenyl)-5-(2,6-dihydro-2-(methylsulfonyl)pyrrolo(3,4-c)pyrazol-5(4H)-yl)tetrahydro-,(2R,3S,5R)-, AC-28992, BC600602, HY-15981, SC-92984, FT-0700127, D10317, J-690074, (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine, (2R,3S,5R)-2-(2,5-Difluorophenyl)-5[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine, marizev, Prexasertib, Omarigliptin [USAN], D0M3XR, ACN-037530, C17-H20-F2-N4-O3-S, A13310, (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine, 2H-Pyran-3-amine, 2-(2,5-difluorophenyl)-5-(2,6-dihydro-2-(methylsulfonyl)pyrrolo(3,4-c)pyrazol-5(4H)-yl)tetrahydro-, (2R,3S,5R)-,

Complexity	649
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	398.122g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	398.429g/mol
Monoisotopic Mass	398.122g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	98.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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