AG00388S

1056634-68-4 | N-(Cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamide

AG00388S

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CAS Number	1056634-68-4
Catalog Number	AG00388S(AGN-PC-04YXR0)
Chemical Name	N-(Cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamide
IUPAC Name	N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide
InChI	InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
InChI Key	ZVHNDZWQTBEVRY-UHFFFAOYSA-N
MDL Number	MFCD16038899
Molecular Formula	C23H22N6O2
Molecular Weight	414.4598
SMILES	C(#N)CNC(C1=CC=C(C=C1)C1=NC(=NC=C1)NC1=CC=C(C=C1)N1CCOCC1)=O
UNII	6O01GMS00P
Synonyms	CYT 387, CYT-387, CYT387, Momelotinib, N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide, Cyt387, 1056634-68-4, MOMELOTINIB, Cyt-387, CYT 387, N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamide, CYT 11387, UNII-6O01GMS00P, N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide, Momelotinib (CYT387), 6O01GMS00P, CHEMBL1078178, AK102858, N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide, N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamide, N-(cyanomethyl)-4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)benzamide, N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)-amino)pyrimidin-4-yl)benzamide, Benzamide, N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)-, benzamide, n-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]-, N-(Cyanomethyl)-4-(2-((4-(morpholin-4-yl)phenyl)amino)pyrimidin-4-yl)benzamide, Momelotinib [USAN:INN], GSK484 (hydrochloride), Momelotinib (USAN/INN), MLS006011154, GTPL7791, SCHEMBL2237234, CHEBI:91407, CTK8C0828, KS-00000QAI, AOB4616, CYT387/CYT-387, EX-A260, QCR-259, SYN1035, ZVHNDZWQTBEVRY-UHFFFAOYSA-N, HMS3244K19, HMS3244K20, HMS3244L19, HMS3655D12, BCP02328, CYT11387, CYT387, CYT11387, CYT387,CYT 11387, Momelotinib (CYT387 CYT-387), ABP000831, AN-507, ANW-65331, BDBM50311017, CYT-11387, MFCD16038899, RS0045, s2219, ZINC43199890, AKOS015904624, ACN-029546, BCP9000570, CS-0053, DB11763, GS-0387, LM-1149, LS41099, SB14602, NCGC00244257-01, NCGC00244257-08, 4CA-0426, AC-23162, AS-19389, HY-10961, SC-94176, SMR004702928, AB0033771, AJ-108274, AX8234397, TC-154076, A3339, FT-0755949, ST24048452, SW219679-1, X7506, D10315, W-5616, J-001468, J-523159, BRD-K87737963-001-01-1, I14-17003, CYT 11387, Cyt-387, 1056634-68-4, N-(cyanomethyl)-4-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide, Benzamide,N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]-, C87, Momelotinib [USAN], CYT387 sulfate salt, D0D5ZJ, cc-203, C23H22N6O2, C23-H22-N6-O2, A4143, A10263, C546012, 1160597-06-7, (Cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamide, 1056636-06-6, 1652591-81-5,

Complexity	615
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	414.18g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	414.469g/mol
Monoisotopic Mass	414.18g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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