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Palbociclib Impurity S

CAT: 1299-RM-P020319-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P020319-02Size:25 mg
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CAS Number
2174002-29-8
Synonyms
1- (6- ((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl) amino) pyridin-3-yl) piperazine 1-oxide
Molecular Formula
C24H29N7O3
Molecular Weight
463.53
Target Alternative Name
Palbociclib
Product Name Synonym
1- (6- ((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl) amino) pyridin-3-yl) piperazine 1-oxide

Chemical Information

1-(6-((6-Acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine 1-oxide
CAS Number2174002-29-8
PubChem CID152630072
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-oxidopiperazin-1-ium-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC24H29N7O3
Molecular Weight463.5
XLogP1
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity821
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)[N+]4(CCNCC4)[O-])C5CCCC5)C(=O)C
InChI
InChI=1S/C24H29N7O3/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)31(34)11-9-25-10-12-31)29-22(19)30(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
InChIKey
ZDIMBNTYWUUTJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(6-((6-Acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine 1-oxide
CAS: 2174002-29-8
CID: 152630072
Formula: C24H29N7O3
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass463.23318781
Monoisotopic Mass463.23318781
Topological Polar Surface Area118 Ų
Heavy Atom Count34
Formal Charge0
Complexity821
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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