Zanubrutinib Impurity 4

CAT: 1596-AR-Z01290-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-Z01290-01Size:10 Units

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CAS Number

2190506-57-9

Synonyms

2- (4-phenoxyphenyl) -7- (piperidin-4-yl) -4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Molecular Formula

C24H25N5O

Molecular Weight

399.50

API Name

Zanubrutinib

Chemical Information

2-(4-Phenoxyphenyl)-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

CAS Number	2190506-57-9
PubChem CID	137305773
IUPAC Name	2-(4-phenoxyphenyl)-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Molecular Formula	C24H25N5O
Molecular Weight	399.5
XLogP	3.9
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	600

SMILES

C1CNCCC1C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C#N

InChI

InChI=1S/C24H25N5O/c25-16-21-23(18-6-8-20(9-7-18)30-19-4-2-1-3-5-19)28-29-22(12-15-27-24(21)29)17-10-13-26-14-11-17/h1-9,17,22,26-27H,10-15H2

InChIKey

XURYHIIZKKEKON-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2190506-57-9

CID: 137305773

Formula: C24H25N5O

MW: 399.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	399.5
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	399.20591044
Monoisotopic Mass	399.20591044
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	600
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-Z01291-01	Zanubrutinib Impurity 5
AR-Z01289-01	Zanubrutinib Impurity 3
AR-Z01236-01	Zanubrutinib Impurity 10
AR-Z01284-01	Zanubrutinib Impurity 1
AR-Z01281-01	Zanubrutinib Impurity 2
AR-Z01288-01	N2-Nitroso Zanubrutinib Impurity 1
AR-Z01286-01	N1-Nitroso Zanubrutinib Impurity 1
AR-Z01230-01	Zanubrutinib
AR-Z01279-01	Zanubrutinib Related Compound 4
AR-Z01231-01	Zanubrutinib d5

Catalog	Name
CS-EO-03112	Chloropropanoyl Zanubrutinib Impurity
CS-O-62232	Zanubrutinib Impurity 1
CS-EO-03114	Zanubrutinib Desacryloyl impurity
RM-Z011410-01	Zanubrutinib Impurity 10
RM-Z011408-01	Zanubrutinib Impurity 8
CS-O-56847	Zanubrutinib Dimer impurity
RM-Z011413-01	Zanubrutinib Impurity 13
RM-Z011412-01	Zanubrutinib Impurity 12
RM-Z011409-01	Zanubrutinib Impurity 9
RM-Z011407-01	Zanubrutinib Impurity 7