AG000YST

129029-23-8 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-2,9-dimethyl-

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CAS Number	129029-23-8
Catalog Number	AG000YST(AGN-PC-0PIWJE)
Chemical Name	4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-2,9-dimethyl-
IUPAC Name	3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one
InChI	InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3
InChI Key	ZZQNEJILGNNOEP-UHFFFAOYSA-N
MDL Number	MFCD00866668
Molecular Formula	C24H25FN4O2
Molecular Weight	420.4793
SMILES	O=C1C(CCN2CCC(C3=NOC4=C3C=CC(F)=C4)CC2)=C(C)N=C5N1C=CC=C5C
UNII	26HUS7139V
Synonyms	(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-2,9-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one, ocaperidone, R 79598, R-79598, Ocaperidone, 129029-23-8, Ocaperidona, UNII-26HUS7139V, 3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)ethyl)-2,9-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one, 26HUS7139V, Ocaperidonum, Ocaperidonum [INN-Latin], Ocaperidona [INN-Spanish], 3-[2-[4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one, 4H-Pyrido[1,2-a]pyrimidin-4-one,3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-2,9-dimethyl-, Ocaperidone (USAN), Ocaperidone [USAN:INN:BAN], 3-(2-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one, 4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-2,9-dimethyl-, 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-2,9-dimethyl-, ACMC-20bqdk, AC1L2FZW, AC1Q6AQQ, GTPL46, R 79598, SCHEMBL122321, CHEMBL2104619, BDBM84734, CTK4B6126, DTXSID10156042, ZZQNEJILGNNOEP-UHFFFAOYSA-N, MFCD00866668, NSC_71351, PDSP1_000799, PDSP2_000787, 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one, AK555243, HY-101094, CAS_129029-23-8, CS-0020804, O0498, D02675, R79598, L001106, R-79598, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-2,9-dimethyl-4H-pyrido[1,2-a]-pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethylpyrido[2,1-b]pyrimidin-4-one, D01FQR, D07VXB, Ocaperidone [USAN:BAN:INN], C24H25FN4O2, CID71351, AR-1E5960, C24-H25-F-N4-O2, FG-3019, 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-, 13066-24-5, 8-[2-[4-(6-fluorobenzo[d]isoxazol-3-yl)-1-piperidyl]ethyl]-2,9-dimethyl-6,10-diazabicyclo[4.4.0]deca-2,4,8,10-tetraen-7-one,

Complexity	856
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	420.196g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	420.488g/mol
Monoisotopic Mass	420.196g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	61.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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