AG001RF8

1598383-40-4 | Benzamide, N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[ethyl[trans-4-[(2-methoxyethyl)methylamino]cyclohexyl]amino]-2-methyl-5-[3-(4-morpholinyl)-1-propyn-1-yl]-

AG001RF8

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CAS Number	1598383-40-4
Catalog Number	AG001RF8(AGN-PC-0WCYXA)
Chemical Name	Benzamide, N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[ethyl[trans-4-[(2-methoxyethyl)methylamino]cyclohexyl]amino]-2-methyl-5-[3-(4-morpholinyl)-1-propyn-1-yl]-
IUPAC Name	N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide
InChI	InChI=1S/C35H51N5O4/c1-7-40(30-12-10-29(11-13-30)38(5)15-18-43-6)33-23-28(9-8-14-39-16-19-44-20-17-39)22-31(27(33)4)34(41)36-24-32-25(2)21-26(3)37-35(32)42/h21-23,29-30H,7,10-20,24H2,1-6H3,(H,36,41)(H,37,42)
InChI Key	XQFINGFCBFHOPE-UHFFFAOYSA-N
MDL Number	MFCD28964159
Molecular Formula	C35H51N5O4
Molecular Weight	605.8105
SMILES	CC1=C(C(NC(=C1)C)=O)CNC(C1=C(C(=CC(=C1)C#CCN1CCOCC1)N([C@@H]1CC[C@H](CC1)N(C)CCOC)CC)C)=O
Synonyms	EPZ011989, 1598383-40-4, EPZ-011989, EPZ011969, GTPL9273, CHEMBL3672841, SCHEMBL15647410, SCHEMBL15700498, SCHEMBL16460838, AOB87382, BCP15987, EX-A1583, MFCD28964159, AKOS026750484, AKOS027339815, ZINC207506284, ZINC253497322, CS-4592, EPZ 011989, NCGC00384304-03, HY-16986, J3.544.029A, N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-(ethyl((trans)-4-((2-methoxyethyl)(methyl)amino)cyclohexyl)amino)-2-methyl-5-(3-morpholinoprop-1-yN-1-yl)benzamide, N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-{ethyl[(1r,4r)-4-[(2-methoxyethyl)(methyl)amino]cyclohexyl]amino}-2-methyl-5-[3-(morpholin-4-yl)prop-1-yn-1-yl]benzamide, N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide, A15544,

Complexity	1110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	605.394g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	605.824g/mol
Monoisotopic Mass	605.394g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	86.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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