AG003A5V

910232-84-7 | N-[3-[4,5-Dihydro-4-methyl-6-[[4-(4-morpholinylcarbonyl)phenyl]amino]-5-oxo-2-pyrazinyl]-2-methylphenyl]-4-(1,1-dimethylethyl)benzamide

AG003A5V

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CAS Number	910232-84-7
Catalog Number	AG003A5V(AGN-PC-0VRIWW)
Chemical Name	N-[3-[4,5-Dihydro-4-methyl-6-[[4-(4-morpholinylcarbonyl)phenyl]amino]-5-oxo-2-pyrazinyl]-2-methylphenyl]-4-(1,1-dimethylethyl)benzamide
IUPAC Name	4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
InChI	InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)
InChI Key	JIFCFQDXHMUPGP-UHFFFAOYSA-N
MDL Number	MFCD18782602
Molecular Formula	C34H37N5O4
Molecular Weight	579.6887
SMILES	O=C(NC1=CC=CC(C(N=C2NC3=CC=C(C(N4CCOCC4)=O)C=C3)=CN(C)C2=O)=C1C)C5=CC=C(C(C)(C)C)C=C5
Synonyms	CGI 1746, CGI-1746, CGI1746, CGI-1746, 910232-84-7, CGI1746, 4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morpholine-4-carbonyl)phenyl)amino)-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)benzamide, GCI1746, CGI 1746, 4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide, C34H37N5O4, 4-Tert-Butyl-N-[2-Methyl-3-(4-Methyl-6-{[4-(Morpholin-4-Ylcarbonyl)phenyl]amino}-5-Oxo-4,5-Dihydropyrazin-2-Yl)phenyl]benzamide, SCHEMBL769731, GTPL8066, CHEMBL1230541, BDBM36516, DTXSID70647724, EX-A614, SYN1164, HMS3652B20, AOB87149, BCP05160, KS-00001CV0, MFCD18782602, s7051, ZINC58631343, AKOS024462679, BCP9000510, CGI1746, 2, CS-0252, SB19189, NCGC00345857-01, NCGC00345857-06, AK162846, AS-16300, BC600469, HY-11999, N-[3-[4,5-dihydro-4-methyl-6-[[4-(4-morpholinylcarbonyl)phenyl]amino]-5-oxo-2-pyrazinyl]-2-methylphenyl]-4-(tert-butyl)benzamide, FT-0700404, SW222244-1, X3449, W-5786, 4-tert-butyl-N-(2-methyl-3-(4-methyl-6-(4-(morpholine-4-carbonyl)phenylamino)-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)benzamide, 4-tert-Butyl-N-(2-methyl-3-{4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxo-4,5-dihydropyrazin-2-yl}phenyl)benzamide, N-[3-[4,5-Dihydro-4-methyl-6-[[4-(4-morpholinylcarbonyl)phenyl]amino]-5-oxo-2-pyrazinyl]-2-methylphenyl]-4-(1,1-dimethylethyl)benzamide, D0H3JH, CGI-560, CGI-676, JIFCFQDXHMUPGP-UHFFFAOYSA-N, CGI-1316, CGI-2233, CGI-2815, CGI-3130, A3302, A11348, Btk inhibitors (autoimmune disease/inflammatory disease), Btk inhibitors (autoimmune disease/inflammatory disease), Gilead, Btk inhibitors (autoimmune disease/inflammatory disease), Cellular Genomics, Btk inhibitors (autoimmune disease/inflammatory disease), CGI Pharmaceuticals,

Complexity	1070
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	579.285g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	579.701g/mol
Monoisotopic Mass	579.285g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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