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Palbociclib Impurity 97

CAT: 1299-RM-P020397-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P020397-02Size:25 mg
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CAS Number
571189-65-6
Synonyms
Tert-butyl 4- (6- ((8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl) amino) pyridin-3-yl) piperazine-1-carboxylate
Molecular Formula
C27H35N7O3
Molecular Weight
505.62
Target Alternative Name
Palbociclib
Product Name Synonym
Tert-butyl 4- (6- ((8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl) amino) pyridin-3-yl) piperazine-1-carboxylate

Chemical Information

tert-butyl 4-(6-((8-cyclopentyl-5-Methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyriMidin-2-yl)aMino)pyridin-3-yl)piperazine-1-carboxylate
CAS Number571189-65-6
PubChem CID10217867
IUPAC Nametert-butyl 4-[6-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
Molecular FormulaC27H35N7O3
Molecular Weight505.6
XLogP3.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity861
SMILES
CC1=CC(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C5CCCC5
InChI
InChI=1S/C27H35N7O3/c1-18-15-23(35)34(19-7-5-6-8-19)24-21(18)17-29-25(31-24)30-22-10-9-20(16-28-22)32-11-13-33(14-12-32)26(36)37-27(2,3)4/h9-10,15-17,19H,5-8,11-14H2,1-4H3,(H,28,29,30,31)
InChIKey
ZFQGPCBCGFJESP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl 4-(6-((8-cyclopentyl-5-Methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyriMidin-2-yl)aMino)pyridin-3-yl)piperazine-1-carboxylate
CAS: 571189-65-6
CID: 10217867
Formula: C27H35N7O3
MW: 505.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.6
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass505.28013800
Monoisotopic Mass505.28013800
Topological Polar Surface Area104 Ų
Heavy Atom Count37
Formal Charge0
Complexity861
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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