Palbociclib impurity 20

CAT: 0013-GTR19281324-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19281324-02Size:50 mg

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Description

Palbociclib impurity 20 is an impurity of Palbociclib.

CAS Number

1774898-55-3

Smiles

O=C (OC (C) (C) C) N1CCN (C=2C=NC=CC2N (=O) =O) CC1

Molecular Formula

C14H20N4O4

Molecular Weight

308.34

Notes

For research use only.

Chemical Information

tert-Butyl 4-(4-nitropyridin-3-yl)piperazine-1-carboxylate

CAS Number	1774898-55-3
PubChem CID	71627661
IUPAC Name	tert-butyl 4-(4-nitro-3-pyridinyl)piperazine-1-carboxylate
Molecular Formula	C14H20N4O4
Molecular Weight	308.33
XLogP	1.5
Topological Polar Surface Area	91.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	410

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)12-10-15-5-4-11(12)18(20)21/h4-5,10H,6-9H2,1-3H3

InChIKey

ZPRVQWWYUSAOFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1774898-55-3

CID: 71627661

Formula: C14H20N4O4

MW: 308.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.33
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	308.14845513
Monoisotopic Mass	308.14845513
Topological Polar Surface Area	91.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	410
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