AG00ECCZ

649735-46-6 | 1-[[4-[(4-Fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy]-2-propanol

AG00ECCZ

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CAS Number	649735-46-6
Catalog Number	AG00ECCZ(AGN-PC-0TEOG2)
Chemical Name	1-[[4-[(4-Fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy]-2-propanol
IUPAC Name	(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
InChI	InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
InChI Key	WCWUXEGQKLTGDX-LLVKDONJSA-N
MDL Number	MFCD13194684
Molecular Formula	C19H19FN4O3
Molecular Weight	370.3776
SMILES	C[C@@H](O)COC1=CN2N=CN=C(OC3=C(F)C4=C(NC(C)=C4)C=C3)C2=C1C
UNII	DDU33B674I
Synonyms	BMS 540215, BMS 582664, BMS-540215, BMS-582664, BMS540215, BMS582664, brivanib, brivanib alaninate, Brivanib, 649735-46-6, Brivanib (BMS-540215), BMS-540215, BMS 540215, UNII-DDU33B674I, Brivanib [USAN], BMS540215, CHEMBL377300, DDU33B674I, (2R)-1-[4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy]propanol, Brivanib (USAN), (2R)-1-[4-[(4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY]-5-METHYL-PYRROLO[2,1-F][1,2,4]TRIAZIN-6-YL]OXYPROPAN-2-OL, (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-ol, (R)-1-(4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yloxy)propan-2-ol, J-500907, (R)-1-((4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZIN-6-YL)OXY)PROPAN-2-OL, (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-ol, (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-ol, cc-87, Brivanib,BMS-540215, Brivanib (BMS540215), Brivanib, BMS 540215, MLS006011288, Brivanib - BMS-540215, GTPL5671, QCR-57, SCHEMBL1227589, CHEBI:94562, KS-00000XPK, DTXSID60215294, EX-A011, SYN1134, BCPP000317, 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy]-2-propanol, ABP000860, BDBM50184807, MFCD13194684, s1084, ZINC13684256, AKOS015920386, AKOS015949459, BMS 540215;Unii-ddu33B674i, AC-5252, BCP9000449, CS-0148, DB11958, PB21321, RP08039, NCGC00263160-01, AJ-64312, AN-11142, AS-16273, BR-41798, HY-10337, SC-23382, SMR004703038, Brivanib(BMS-540215)/BMS540215, ST2402220, FT-0685182, SW219896-1, X2635, EC-000.2327, A24076, D09589, Q-4485, 735B466, BRD-K28428262-001-01-7, BMS-540215, 649735-46-6, 2-Propanol, 1-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-, (2R)-, Brivanib alaninate, D0HS5V, C19H19FN4O3, CID11234052, CID 11234052, A2597, A10254, 649735-63-7,

Complexity	515
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	370.144g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	370.384g/mol
Monoisotopic Mass	370.144g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	84.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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