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Palbociclib Aldehyde

CAT: 1596-AR-P01073-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-P01073-05Size:150
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2204368-66-9
Synonyms
2- (8-cyclopentyl-5-methyl-7-oxo-2- ((5- (piperazin-1-yl) pyridin-2-yl) amino) -7,8-dihydropyrido[2,3-d]pyrimidin-6-yl) acetaldehyde
Molecular Formula
C24H29N7O2
Molecular Weight
447.54
API Name
Palbociclib

Chemical Information

Palbociclib Impurity Z
CAS Number2204368-66-9
PubChem CID151955453
IUPAC Name2-[8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-6-yl]acetaldehyde
Molecular FormulaC24H29N7O2
Molecular Weight447.5
XLogP1.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity747
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)CC=O
InChI
InChI=1S/C24H29N7O2/c1-16-19(8-13-32)23(33)31(17-4-2-3-5-17)22-20(16)15-27-24(29-22)28-21-7-6-18(14-26-21)30-11-9-25-10-12-30/h6-7,13-15,17,25H,2-5,8-12H2,1H3,(H,26,27,28,29)
InChIKey
TXNLUUYBQUWHMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Palbociclib Impurity Z
CAS: 2204368-66-9
CID: 151955453
Formula: C24H29N7O2
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass447.23827319
Monoisotopic Mass447.23827319
Topological Polar Surface Area103 Ų
Heavy Atom Count33
Formal Charge0
Complexity747
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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