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Palbociclib Impurity V

CAT: 1299-RM-P020322-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P020322-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1941177-45-2
Synonyms
Tert-butyl 4- (6- ((8-cyclopentyl-5-methyl-7-oxo-6-vinyl-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl) amino) pyridin-3-yl) piperazine-1-carboxylate
Molecular Formula
C29H37N7O3
Molecular Weight
531.65
Target Alternative Name
Palbociclib
Product Name Synonym
Tert-butyl 4- (6- ((8-cyclopentyl-5-methyl-7-oxo-6-vinyl-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-6-vinyl-7,8-dihydropyrido[2,3-d]pyriMidin-2-yl)aMino)pyridin-3-yl)piperazine-1-carboxylate
CAS Number1941177-45-2
PubChem CID118703545
IUPAC Nametert-butyl 4-[6-[(8-cyclopentyl-6-ethenyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
Molecular FormulaC29H37N7O3
Molecular Weight531.6
XLogP4
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity949
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C5CCCC5)C=C
InChI
InChI=1S/C29H37N7O3/c1-6-22-19(2)23-18-31-27(33-25(23)36(26(22)37)20-9-7-8-10-20)32-24-12-11-21(17-30-24)34-13-15-35(16-14-34)28(38)39-29(3,4)5/h6,11-12,17-18,20H,1,7-10,13-16H2,2-5H3,(H,30,31,32,33)
InChIKey
XROVUZCSKNVTSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl 4-(6-((8-cyclopentyl-5-Methyl-7-oxo-6-vinyl-7,8-dihydropyrido[2,3-d]pyriMidin-2-yl)aMino)pyridin-3-yl)piperazine-1-carboxylate
CAS: 1941177-45-2
CID: 118703545
Formula: C29H37N7O3
MW: 531.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight531.6
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass531.29578807
Monoisotopic Mass531.29578807
Topological Polar Surface Area104 Ų
Heavy Atom Count39
Formal Charge0
Complexity949
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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