AG009CC2

1337531-36-8 | 7Methyl-5-(1-{[3-(trifluoroMethyl)phenyl]acetyl}-2,3-dihydro1Hindol-5-yl)7Hpyrrolo[2,3d]pyriMidin-4-aMine

AG009CC2

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CAS Number	1337531-36-8
Catalog Number	AG009CC2(AGN-PC-0WAJQO)
Chemical Name	7Methyl-5-(1-{[3-(trifluoroMethyl)phenyl]acetyl}-2,3-dihydro1Hindol-5-yl)7Hpyrrolo[2,3d]pyriMidin-4-aMine
IUPAC Name	1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
InChI	InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)
InChI Key	SIXVRXARNAVBTC-UHFFFAOYSA-N
MDL Number	MFCD25976926
Molecular Formula	C24H20F3N5O
Molecular Weight	451.4437
SMILES	FC(C1=CC(CC(N2CCC3=C2C=CC(C4=CN(C)C5=NC=NC(N)=C54)=C3)=O)=CC=C1)(F)F
Synonyms	7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine, GSK2606414, GSK2606414, 1337531-36-8, GSK 2606414, GSK-2606414, CHEMBL2171124, AK175551, 1-(5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone, 1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone, C24H20F3N5O, 1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethan-1-one, 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, 1-[5-(4-Amino-7-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl)-2,3-Dihydro-1h-Indol-1-Yl]-2-[3-(Trifluoromethyl)phenyl]ethanone, 1-[5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Tube501, SCHEMBL868254, AOB3888, EX-A340, SYN1201, HMS3653O10, BCP06992, BDBM50396534, MFCD25976926, s7307, ZINC95550949, AKOS024458496, CS-1428, EK-0047, QC-9698, SB19408, NCGC00346070-09, AC-29016, HY-18072, AB0071215, FT-0716681, SW219646-1, W-6115, 7Methyl-5-(1-{[3-(trifluoroMethyl)phenyl]acetyl}-2,3-dihydro1Hindol-5-yl)7Hpyrrolo[2,3d]pyriMidin-4-aMine, SIXVRXARNAVBTC-UHFFFAOYSA-N, A3448, A12792, C576403, 7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine,

Complexity	721
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	451.162g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	451.453g/mol
Monoisotopic Mass	451.162g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	77A^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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