AG00ECER

627908-92-3 | 1H-Pyrrole-3-carboxamide,5-[(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-dimethyl-

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CAS Number	627908-92-3
Catalog Number	AG00ECER(AGN-PC-0T5XMX)
Chemical Name	1H-Pyrrole-3-carboxamide,5-[(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-dimethyl-
IUPAC Name	5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
InChI	InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-
InChI Key	CTNPALGJUAXMMC-ZDLGFXPLSA-N
MDL Number	MFCD16495822
Molecular Formula	C23H27FN4O4
Molecular Weight	442.4833
SMILES	O=C(C2=C(C)NC(/C=C3/C(NC4=C3C=C(F)C=C4)=O)=C2C)NC[C@H](O)CN1CCOCC1
Synonyms	5-((5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide, SU 14813, SU-14813, SU14813, SU14813, 5-[((3Z)-5-Fluoro-2-oxo-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid [2-hydroxy-3-(morpholin-4-yl)propyl]amide, 627908-92-3, 452104-85-7, (Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-N-(2-hydroxy-3-morpholinopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide, 5-(5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidene-methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-hydroxy-3-morpholin-4-yl-propyl)-amide, 5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidene-methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-hydroxy-3-morpholin-4-yl-propyl)-amide, SCHEMBL2334599, CTNPALGJUAXMMC-ZDLGFXPLSA-N, BCPP000058, ABP000323, SU14813/SU-14813, CS-0008410, 5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidene-methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid(2-hydroxy-3-morpholin-4-yl-propyl)-amide, UNII-ZZ6VH5MZ17, CID10138260, CID 10225366, SU 14813, SU-14813, SU014813, 5-((5-Fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide,

Complexity	729
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	442.202g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	442.491g/mol
Monoisotopic Mass	442.202g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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