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Palbociclib Impurity 4

CAT: 1299-RM-P020330-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P020330-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1376615-91-6
Synonyms
8-cyclopentyl-6- (1-hydroxyethyl) -5-methyl-2- ((5- (piperazin-1-yl) pyridin-2-yl) amino) pyrido[2,3-d]pyrimidin-7 (8H) -one
Molecular Formula
C24H31N7O2
Molecular Weight
449.56
Target Alternative Name
Palbociclib
Product Name Synonym
8-cyclopentyl-6- (1-hydroxyethyl) -5-methyl-2- ((5- (piperazin-1-yl) pyridin-2-yl) amino) pyrido[2,3-d]pyrimidin-7 (8H) -one

Chemical Information

8-Cyclopentyl-6-(1-hydroxyethyl)-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8h)-one
CAS Number1376615-91-6
PubChem CID69082340
IUPAC Name8-cyclopentyl-6-(1-hydroxyethyl)-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC24H31N7O2
Molecular Weight449.5
XLogP2
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity734
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(C)O
InChI
InChI=1S/C24H31N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,16-17,25,32H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
InChIKey
ITWDCYAGRFOAOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Cyclopentyl-6-(1-hydroxyethyl)-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8h)-one
CAS: 1376615-91-6
CID: 69082340
Formula: C24H31N7O2
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass449.25392326
Monoisotopic Mass449.25392326
Topological Polar Surface Area107 Ų
Heavy Atom Count33
Formal Charge0
Complexity734
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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