AG001D3G

1454846-35-5 | 2H-4,8-Methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, 7-amino-12-fluoro-10,15,16,17-tetrahydro-2,10,16-trimethyl-15-oxo-, (10R)-

AG001D3G

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CAS Number	1454846-35-5
Catalog Number	AG001D3G(AGN-PC-0WCXWE)
Chemical Name	2H-4,8-Methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, 7-amino-12-fluoro-10,15,16,17-tetrahydro-2,10,16-trimethyl-15-oxo-, (10R)-
IUPAC Name	(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
InChI	InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
InChI Key	IIXWYSCJSQVBQM-LLVKDONJSA-N
MDL Number	MFCD28144520
Molecular Formula	C21H19FN6O2
Molecular Weight	406.4130
SMILES	N#CC1=C(C2=CN=C(C(O[C@@H](C3=CC(F)=CC=C3C4=O)C)=C2)N)C(CN4C)=NN1C
UNII	OSP71S83EU
Synonyms	7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile, lorlatinib, PF-06463922, PF06463922, Lorlatinib, 1454846-35-5, PF-06463922, Loratinib, Lorbrena, UNII-OSP71S83EU, Lorlatinib,PF-06463922, PF 06463922, OSP71S83EU, CHEMBL3286830, PF06463922, (10R)-7-amino-12-fluoro-10,15,16,17-tetrahydro-2,10,16-trimethyl-15-oxo-2H-4,8-methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, MFCD28144520, (10r)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2h-8,4-(Metheno)pyrazolo[4,3-H][2,5,11]benzoxadiazacyclotetradecine-3-Carbonitrile, 2H-4,8-Methenopyrazolo(4,3-H)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile, 7-amino-12-fluoro-10,15,16,17-tetrahydro-2,10,16-trimethyl-15-oxo-, (10R)-, lorlantinib, lorlatinibum, 4cli, 4clj, Lorbrena (TN), 2H-4,8-Methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, 7-amino-12-fluoro-10,15,16,17-tetrahydro-2,10,16-trimethyl-15-oxo-, (10R)-, AK175603, Lorlatinib [USAN:INN], PFE-PKIS 10, Lorlatinib (JAN/USAN/INN), PF06463922(Lorlatinib), GTPL7476, Lorlatinib (PF-6463922), SCHEMBL15261807, EX-A828, CHEBI:143117, (10R)-7-Amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-H][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile, BCP10287, KS-00000T6C, 2641AH, BDBM50018830, s7536, ZINC98208524, AKOS027250753, CS-3983, DB12130, SB16884, NCGC00386417-02, NCGC00386417-13, 7-Amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile, BC600707, HY-12215, FT-0700455, PF-6463922, A14207, D11012, J-690185, (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-4,8-methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, Rostafuroxin, Loratinib [USAN], C21H19FN6O2, ACN-041467, B4882,

Complexity	700
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	406.155g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	406.421g/mol
Monoisotopic Mass	406.155g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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