Palbociclib Impurity 79

CAT: 1596-AR-P30171-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30171-03Size:50 Units

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CAS Number

571189-64-5

Synonyms

6-Acetyl-2-amino-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7 (8H) -one

Molecular Formula

C15H18N4O2

Molecular Weight

286.34

API Name

Palbociclib

Chemical Information

6-Acetyl-2-amino-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one

CAS Number	571189-64-5
PubChem CID	11449040
IUPAC Name	6-acetyl-2-amino-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
Molecular Formula	C15H18N4O2
Molecular Weight	286.33
XLogP	0.9
Topological Polar Surface Area	89.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	496

SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)N)C3CCCC3)C(=O)C

InChI

InChI=1S/C15H18N4O2/c1-8-11-7-17-15(16)18-13(11)19(10-5-3-4-6-10)14(21)12(8)9(2)20/h7,10H,3-6H2,1-2H3,(H2,16,17,18)

InChIKey

LXKNTYGIJJDNJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 571189-64-5

CID: 11449040

Formula: C15H18N4O2

MW: 286.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.33
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	286.14297583
Monoisotopic Mass	286.14297583
Topological Polar Surface Area	89.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	496
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes