Palbociclib Impurity 58

CAT: 1596-AR-P30191-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30191-02Size:25 Units

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

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CAS Number

2363172-64-7

Synonyms

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

Molecular Formula

C20H22N6O2

Molecular Weight

378.44

API Name

Palbociclib

Chemical Information

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

CAS Number	2363172-64-7
PubChem CID	129276762
IUPAC Name	6-acetyl-2-[(5-amino-2-pyridinyl)amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
Molecular Formula	C20H22N6O2
Molecular Weight	378.4
XLogP	1.7
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	659

SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N)C4CCCC4)C(=O)C

InChI

InChI=1S/C20H22N6O2/c1-11-15-10-23-20(24-16-8-7-13(21)9-22-16)25-18(15)26(14-5-3-4-6-14)19(28)17(11)12(2)27/h7-10,14H,3-6,21H2,1-2H3,(H,22,23,24,25)

InChIKey

NYKGBFDGTNLBKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2363172-64-7

CID: 129276762

Formula: C20H22N6O2

MW: 378.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.4
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	378.18042397
Monoisotopic Mass	378.18042397
Topological Polar Surface Area	114 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	659
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