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Palbociclib Impurity 2

CAT: 1299-RM-P020328-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P020328-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2204863-06-7
Synonyms
8-cyclopentyl-5-methyl-2- ((5- (piperazin-1-yl) pyridin-2-yl) amino) -6-vinylpyrido[2,3-d]pyrimidin-7 (8H) -one
Molecular Formula
C24H29N7O
Molecular Weight
431.53
Target Alternative Name
Palbociclib
Product Name Synonym
8-cyclopentyl-5-methyl-2- ((5- (piperazin-1-yl) pyridin-2-yl) amino) -6-vinylpyrido[2,3-d]pyrimidin-7 (8H) -one

Chemical Information

8-cyclopentyl-5-Methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)aMino)-6-vinylpyrido[2,3-d]pyriMidin-7(8H)-one
CAS Number2204863-06-7
PubChem CID118703740
IUPAC Name8-cyclopentyl-6-ethenyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC24H29N7O
Molecular Weight431.5
XLogP2.7
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity728
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C=C
InChI
InChI=1S/C24H29N7O/c1-3-19-16(2)20-15-27-24(29-22(20)31(23(19)32)17-6-4-5-7-17)28-21-9-8-18(14-26-21)30-12-10-25-11-13-30/h3,8-9,14-15,17,25H,1,4-7,10-13H2,2H3,(H,26,27,28,29)
InChIKey
BAMRZESJXFABIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-cyclopentyl-5-Methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)aMino)-6-vinylpyrido[2,3-d]pyriMidin-7(8H)-one
CAS: 2204863-06-7
CID: 118703740
Formula: C24H29N7O
MW: 431.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass431.24335857
Monoisotopic Mass431.24335857
Topological Polar Surface Area86.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity728
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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