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Desacetyl Polbociclib

CAT: 1596-AR-P01063-02Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01063-02Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
571190-22-2
Synonyms
8-cyclopentyl-5-methyl-2- ((5- (piperazin-1-yl) pyridin-2-yl) amino) pyrido[2,3-d]pyrimidin-7 (8H) -one
Molecular Formula
C22H27N7O
Molecular Weight
405.51
API Name
Palbociclib

Chemical Information

Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]-
CAS Number571190-22-2
PubChem CID5330281
IUPAC Name8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC22H27N7O
Molecular Weight405.5
XLogP1.9
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity643
SMILES
CC1=CC(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5
InChI
InChI=1S/C22H27N7O/c1-15-12-20(30)29(16-4-2-3-5-16)21-18(15)14-25-22(27-21)26-19-7-6-17(13-24-19)28-10-8-23-9-11-28/h6-7,12-14,16,23H,2-5,8-11H2,1H3,(H,24,25,26,27)
InChIKey
HOXDMBXWILKORE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]-
CAS: 571190-22-2
CID: 5330281
Formula: C22H27N7O
MW: 405.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass405.22770851
Monoisotopic Mass405.22770851
Topological Polar Surface Area86.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity643
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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