AG003ATC

872365-14-5 | 2-Methyl-1-[[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-acetic acid

AG003ATC

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CAS Number	872365-14-5
Catalog Number	AG003ATC(AGN-PC-0WGD03)
Chemical Name	2-Methyl-1-[[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-acetic acid
IUPAC Name	2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
InChI	InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
InChI Key	GFPPXZDRVCSVNR-UHFFFAOYSA-N
MDL Number	MFCD22548206
Molecular Formula	C19H17F3N2O4S
Molecular Weight	426.4095
SMILES	CC1=C(C=2C(=NC=CC2)N1CC1=C(C=C(C=C1)S(=O)(=O)C)C(F)(F)F)CC(=O)O
UNII	2PEX5N7DQ4
Synonyms	1-(4-methanesulfonylbenzyl)-2-methyl-1H-pyrrolo(2,3-b)pyridin-3-yl)acetic acid, fevipiprant, NVP-QAW039, Fevipiprant, 872365-14-5, NVP-QAW039, UNII-2PEX5N7DQ4, QAW039, 2PEX5N7DQ4, 2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid, Fevipiprant [INN], Fevipiprant [USAN:INN], QAW 039, Fevipiprant (JAN/USAN/INN), GTPL8995, SCHEMBL1940595, CHEMBL3137332, GFPPXZDRVCSVNR-UHFFFAOYSA-N, BCP25015, EX-A2495, ZINC43101772, AKOS030629816, AB85348, CS-5956, DB12011, Fevipiprant; NVP-QAW039; QAW039, SB16897, (1-(4-((Methane)sulfonyl)-2-trifluoromethylbenzyl)-2-methyl-1H-pyrrolo(2,3-b)pyridin-3-yl)acetic acid, 2-(1-((4-Methanesulfonyl-2-(trifluoromethyl)phenyl)methyl(-2-methyl-1H-pyrrolo(2,3-b)pyridin-3-yl)acetic acid, HY-16768, D10631, (2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid, [1-(4-Methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid, [2-METHYL-1-[4-(METHYLSULFONYL)-2-(TRIFLUOROMETHYL)BENZYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]ACETIC ACID, 2-(2-methyl-1-(4-(methylsulfonyl)-2-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid, 2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[5,4-b]pyridin-3-yl]acetic acid, 2-Methyl-1-[[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-acetic acid, FSY, NVP-QAW039; QAW039 pound notQAW039 pound notQAW-039 pound notQAW 039 pound notFevipiprant,

Complexity	709
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	426.086g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	426.41g/mol
Monoisotopic Mass	426.086g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	97.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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