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Palbociclib Impurity 50

CAT: 1299-RM-P020350-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P020350-02Size:25 mg
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CAS Number
571189-51-0
Synonyms
6-acetyl-8-cyclopentyl-5-methyl-2- ((5- (4-methylpiperazin-1-yl) pyridin-2-yl) amino) pyrido[2,3-d]pyrimidin-7 (8H) -one
Molecular Formula
C25H31N7O2
Molecular Weight
461.56
Target Alternative Name
Palbociclib
Product Name Synonym
6-acetyl-8-cyclopentyl-5-methyl-2- ((5- (4-methylpiperazin-1-yl) pyridin-2-yl) amino) pyrido[2,3-d]pyrimidin-7 (8H) -one

Chemical Information

6-Acetyl-8-cyclopentyl-5-methyl-2-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-8H-pyrido(2,3-d)pyrimidin-7-one
CAS Number571189-51-0
PubChem CID5330298
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC25H31N7O2
Molecular Weight461.6
XLogP2.3
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity803
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C)C5CCCC5)C(=O)C
InChI
InChI=1S/C25H31N7O2/c1-16-20-15-27-25(28-21-9-8-19(14-26-21)31-12-10-30(3)11-13-31)29-23(20)32(18-6-4-5-7-18)24(34)22(16)17(2)33/h8-9,14-15,18H,4-7,10-13H2,1-3H3,(H,26,27,28,29)
InChIKey
PBSZUBKCQUPZFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Acetyl-8-cyclopentyl-5-methyl-2-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-8H-pyrido(2,3-d)pyrimidin-7-one
CAS: 571189-51-0
CID: 5330298
Formula: C25H31N7O2
MW: 461.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.6
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass461.25392326
Monoisotopic Mass461.25392326
Topological Polar Surface Area94.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity803
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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