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Palbociclib Impurity 48

CAT: 1299-RM-P020348-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P020348-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2458234-37-0
Synonyms
8-cyclopentyl-5-methyl-2,6-bis ((5- (piperazin-1-yl) pyridin-2-yl) amino) pyrido[2,3-d]pyrimidin-7 (8H) -one
Molecular Formula
C31H39N11O
Molecular Weight
581.71
Target Alternative Name
Palbociclib
Product Name Synonym
8-cyclopentyl-5-methyl-2,6-bis ((5- (piperazin-1-yl) pyridin-2-yl) amino) pyrido[2,3-d]pyrimidin-7 (8H) -one

Chemical Information

8-cyclopentyl-5-methyl-2,6-bis((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CAS Number2458234-37-0
PubChem CID154630311
IUPAC Name8-cyclopentyl-5-methyl-2,6-bis[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC31H39N11O
Molecular Weight581.7
XLogP2.4
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity977
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)NC6=NC=C(C=C6)N7CCNCC7
InChI
InChI=1S/C31H39N11O/c1-21-25-20-36-31(38-27-9-7-24(19-35-27)41-16-12-33-13-17-41)39-29(25)42(22-4-2-3-5-22)30(43)28(21)37-26-8-6-23(18-34-26)40-14-10-32-11-15-40/h6-9,18-20,22,32-33H,2-5,10-17H2,1H3,(H,34,37)(H,35,36,38,39)
InChIKey
ZPOLWTLFJOEYCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-cyclopentyl-5-methyl-2,6-bis((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CAS: 2458234-37-0
CID: 154630311
Formula: C31H39N11O
MW: 581.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.7
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass581.33390491
Monoisotopic Mass581.33390491
Topological Polar Surface Area126 Ų
Heavy Atom Count43
Formal Charge0
Complexity977
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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