AG00G26C

821794-92-7 | 1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone

AG00G26C

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CAS Number	821794-92-7
Catalog Number	AG00G26C(AGN-PC-0ULKEJ)
Chemical Name	1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone
IUPAC Name	1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone
InChI	InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)
InChI Key	IKLGYJACVCXYIL-UHFFFAOYSA-N
MDL Number	MFCD22417081
Molecular Formula	C18H19FN4O2
Molecular Weight	342.3675
SMILES	FCC(C1=C(C2=CC=C(C)C=C2)C(C(N)=NC=N3)=C3N1CCCO)=O
Synonyms	821794-92-7, FMK, 1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone, CHEMBL515414, 1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-fluoroethanone, 1-(4-amino-7-(3-hydroxypropyl)-5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-fluoroethanone, 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone, FMK (covalent), RSK inhibitor Fmk, AC1LD8U9, FMK;RSK2 kinase inhibitor, GTPL9358, SCHEMBL12200837, KS-00001DWT, DTXSID40349344, EX-A846, BCP10804, ZINC6718642, 3681AH, BDBM50248765, HY-52101A, MFCD22417081, AKOS027325130, CS-0648, QC-8903, NCGC00386649-02, fluoromethylketone-pyrrolopyrimidine scaffold, FT-0700368, A11423, W-5913, J-690355, 1-[4-Amino-5-(4-methylphenyl)-7-(3-hydroxypropyl)-7H-pyrrolo[2,3-d]pyrimidine-6-yl]-2-fluoroethanone, 1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethan-1-one, ethanone, 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoro-, Ethanone, 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoro- (9CI), nchembio859-comp1, C18H19FN4O2, IKLGYJACVCXYIL-UHFFFAOYSA-N, CID644243, A3420, 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,

Complexity	458
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	342.149g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	342.374g/mol
Monoisotopic Mass	342.149g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	94A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

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