Palbociclib Impurity 46

CAT: 1299-RM-P020346-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P020346-02Size:25 mg

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CAS Number

1651214-73-1

Synonyms

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

Molecular Formula

C15H16ClN3O2

Molecular Weight

305.76

Target Alternative Name

Palbociclib

Product Name Synonym

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

Chemical Information

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

CAS Number	1651214-73-1
PubChem CID	129072576
IUPAC Name	6-acetyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
Molecular Formula	C15H16ClN3O2
Molecular Weight	305.76
XLogP	2.2
Topological Polar Surface Area	63.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	499

SMILES

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

InChI

InChI=1S/C15H16ClN3O2/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

InChIKey

RQEOXBNFWFMQNB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1651214-73-1

CID: 129072576

Formula: C15H16ClN3O2

MW: 305.76

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	305.76
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	305.0931045
Monoisotopic Mass	305.0931045
Topological Polar Surface Area	63.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	499
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