AG000E7G

1173900-33-8 | 2-{[(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid

AG000E7G

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CAS Number	1173900-33-8
Catalog Number	AG000E7G(AGN-PC-0NZ9SP)
Chemical Name	2-{[(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid
IUPAC Name	2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
InChI	InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
InChI Key	IRTDIKMSKMREGO-OAHLLOKOSA-N
MDL Number	MFCD16659062
Molecular Formula	C22H24N4O4
Molecular Weight	408.4504
SMILES	O=C(O)C1=CC=CC=C1N[C@@H](C2=CC(C)=CN(C2=NC(N3CCOCC3)=C4)C4=O)C
UNII	78G6MP5PZ5
Synonyms	2-(1-(7-methyl-2-morpholin-4-yl-4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl)ethylamino)benzoic acid, AZD6482, KIN-193, 1173900-33-8, AZD6482, AZD 6482, (R)-2-(1-(7-methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethylamino)benzoic acid, AZD-6482, 2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid, CHEMBL2165191, UNII-78G6MP5PZ5, 78G6MP5PZ5, KIN-193, 2-({(1R)-1-[7-Methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)benzoic acid, 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 2-{[(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid, 4urk, IRTDIKMSKMREGO-OAHLLOKOSA-N, 2-(((1R)-1-(7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl)ethyl)amino)benzoic acid, 2-{[(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid, PubChem19330, 2-[[(1r)-1-(7-Methyl-2-Morpholin-4-Yl-4-Oxidanylidene-Pyrido[1,2-A]pyrimidin-9-Yl)ethyl]amino]benzoic Acid, MLS006010986, GTPL8059, SCHEMBL1812377, CHEBI:91359, AOB3536, DTXSID00657619, AZD 6482 [WHO-DD], (R)-2-((1-(7-Methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethyl)amino)benzoic acid, ACT06822, EX-A1807, KS-00001CR2, 2243AH, ABP000104, BDBM50395821, MFCD16659062, s1462, ZINC38628584, AKOS015935014, AZD6482(PI3-kinase |A inhibitor), PI3-kinase |A inhibitor, AZD6482, BCP9000355, CS-0086, PB13704, RL00654, SB20065, NCGC00263154-01, AJ-96787, AK-55409, BC660042, HY-10344, SC-94607, SMR004702788, AB0165493, DB-061006, FT-0770511, SW219187-1, Q-4101, J-507622, BRD-K58772419-001-01-3, 1173900-33-8, AZD 6482, (-) 2-{[(1R)-1-(7-Methyl-2-morpholin-4-yl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino}benzoic acid, (-)-2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid, 2-[[(1R)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1.2-a]pyrimidin-9-yl]ethyl]amino]-benzoic acid, Benzoic acid, 2-[[(1R)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]-, D0D0QA, cc-495, C22H24N4O4, A5478, A10112, 1173900-36-1,

Complexity	838
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	408.18g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	408.458g/mol
Monoisotopic Mass	408.18g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	94.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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