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Palbociclib Impurity 23

CAT: 1596-AR-P01087-02Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01087-02Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2205035-04-5
Synonyms
6-acetyl-8-cyclopentyl-5-methyl-2- ((3- (piperazin-1-yl) pyridin-2-yl) amino) pyrido[2,3-d]pyrimidin-7 (8H) -one
Molecular Formula
C24H29N7O2
Molecular Weight
447.54
API Name
Palbociclib

Chemical Information

6-acetyl-8-cyclopentyl-5-methyl-2-((3-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CAS Number2205035-04-5
PubChem CID154630279
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[(3-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC24H29N7O2
Molecular Weight447.5
XLogP1.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity775
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=C(C=CC=N3)N4CCNCC4)C5CCCC5)C(=O)C
InChI
InChI=1S/C24H29N7O2/c1-15-18-14-27-24(28-21-19(8-5-9-26-21)30-12-10-25-11-13-30)29-22(18)31(17-6-3-4-7-17)23(33)20(15)16(2)32/h5,8-9,14,17,25H,3-4,6-7,10-13H2,1-2H3,(H,26,27,28,29)
InChIKey
DVDIOHQSNHRQAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-acetyl-8-cyclopentyl-5-methyl-2-((3-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CAS: 2205035-04-5
CID: 154630279
Formula: C24H29N7O2
MW: 447.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass447.23827319
Monoisotopic Mass447.23827319
Topological Polar Surface Area103 Ų
Heavy Atom Count33
Formal Charge0
Complexity775
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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