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Crizotinib Impurity 4

CAT: 1299-RM-C182604-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C182604-02Size:25 mg
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CAS Number
1428476-80-5
Synonyms
(R) -3- (1- (2,6-dichloro-3-fluorophenyl) ethoxy) -5- (1- (1-ethylpiperidin-4-yl) -1H-pyrazol-4-yl) pyridin-2-amine
Molecular Formula
C23H26Cl2FN5O
Molecular Weight
478.39
Target Alternative Name
Crizotinib
Product Name Synonym
(R) -3- (1- (2,6-dichloro-3-fluorophenyl) ethoxy) -5- (1- (1-ethylpiperidin-4-yl) -1H-pyrazol-4-yl) pyridin-2-amine

Chemical Information

Crizotinib Impurity 59
CAS Number1428476-80-5
PubChem CID71538637
IUPAC Name3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
Molecular FormulaC23H26Cl2FN5O
Molecular Weight478.4
XLogP4.5
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity599
SMILES
CCN1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl
InChI
InChI=1S/C23H26Cl2FN5O/c1-3-30-8-6-17(7-9-30)31-13-16(12-29-31)15-10-20(23(27)28-11-15)32-14(2)21-18(24)4-5-19(26)22(21)25/h4-5,10-14,17H,3,6-9H2,1-2H3,(H2,27,28)/t14-/m1/s1
InChIKey
QMYJQYIVPYXOGQ-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Crizotinib Impurity 59
CAS: 1428476-80-5
CID: 71538637
Formula: C23H26Cl2FN5O
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass477.1498440
Monoisotopic Mass477.1498440
Topological Polar Surface Area69.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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