Palbociclib Impurity 7

CAT: 1299-RM-P020333-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P020333-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1415560-29-0

Synonyms

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

Molecular Formula

C13H13Br2N3O

Molecular Weight

387.07

Target Alternative Name

Palbociclib

Product Name Synonym

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

Chemical Information

Pyrido[2,3-d]pyriMidin-7(8H)-one, 2,6-dibroMo-8-cyclopentyl-5-Methyl-

CAS Number	1415560-29-0
PubChem CID	78357942
IUPAC Name	2,6-dibromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
Molecular Formula	C13H13Br2N3O
Molecular Weight	387.07
XLogP	3.2
Topological Polar Surface Area	46.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	420

SMILES

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

InChI

InChI=1S/C13H13Br2N3O/c1-7-9-6-16-13(15)17-11(9)18(12(19)10(7)14)8-4-2-3-5-8/h6,8H,2-5H2,1H3

InChIKey

GDBOCEQMRZFVCK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1415560-29-0

CID: 78357942

Formula: C13H13Br2N3O

MW: 387.07

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	387.07
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	386.94049
Monoisotopic Mass	384.94254
Topological Polar Surface Area	46.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	420
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