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Crizotinib Impurity 7

CAT: 1299-RM-C182607-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C182607-02Size:25 mg
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CAS Number
877400-79-8
Synonyms
3- (1- (2,6-dichloro-3-fluorophenyl) ethoxy) -5- (1- (1-isopropylpiperidin-4-yl) -1H-pyrazol-4-yl) pyridin-2-amine
Molecular Formula
C24H28Cl2FN5O
Molecular Weight
492.42
Target Alternative Name
Crizotinib
Product Name Synonym
3- (1- (2,6-dichloro-3-fluorophenyl) ethoxy) -5- (1- (1-isopropylpiperidin-4-yl) -1H-pyrazol-4-yl) pyridin-2-amine

Chemical Information

3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(1-isopropylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine
CAS Number877400-79-8
PubChem CID11656144
IUPAC Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
Molecular FormulaC24H28Cl2FN5O
Molecular Weight492.4
XLogP5
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity626
SMILES
CC(C)N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)OC(C)C4=C(C=CC(=C4Cl)F)Cl
InChI
InChI=1S/C24H28Cl2FN5O/c1-14(2)31-8-6-18(7-9-31)32-13-17(12-30-32)16-10-21(24(28)29-11-16)33-15(3)22-19(25)4-5-20(27)23(22)26/h4-5,10-15,18H,6-9H2,1-3H3,(H2,28,29)
InChIKey
WBJQVRFAQOGVDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(1-isopropylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine
CAS: 877400-79-8
CID: 11656144
Formula: C24H28Cl2FN5O
MW: 492.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass491.1654941
Monoisotopic Mass491.1654941
Topological Polar Surface Area69.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity626
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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