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Abecarnil Impurity 3

CAT: 1299-RM-A290003-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A290003-04Size:100 mg
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CAS Number
942487-16-3
Synonyms
N- (2- ((1S,4R) -6- ((4- (cyclobutylamino) -5- (trifluoromethyl) pyrimidin-2-yl) amino) -1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl) -2-oxoethyl) acetamide
Molecular Formula
C23H25F3N6O2
Molecular Weight
474.49
Target Alternative Name
Abecarnil
Product Name Synonym
N- (2- ((1S,4R) -6- ((4- (cyclobutylamino) -5- (trifluoromethyl) pyrimidin-2-yl) amino) -1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl) -2-oxoethyl) acetamide

Chemical Information

Pf-03814735

PF-03814735 has been used in trials studying the treatment of Solid Tumors.

CAS Number942487-16-3
PubChem CID51346455
IUPAC NameN-[2-[(1R,8S)-4-[[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-yl]-2-oxoethyl]acetamide
Molecular FormulaC23H25F3N6O2
Molecular Weight474.5
XLogP3
Topological Polar Surface Area99.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity778
SMILES
CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C3=C2C=CC(=C3)NC4=NC=C(C(=N4)NC5CCC5)C(F)(F)F
InChI
InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/s1
InChIKey
RYYNGWLOYLRZLK-RBUKOAKNSA-N
Chemical Structure
2D Structure
2D structure of Pf-03814735
CAS: 942487-16-3
CID: 51346455
Formula: C23H25F3N6O2
MW: 474.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass474.19910855
Monoisotopic Mass474.19910855
Topological Polar Surface Area99.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity778
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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