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Zanubrutinib Impurity 1

CAT: 1596-AR-Z01284-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Z01284-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1633352-71-2
Synonyms
(S) -2- (4-phenoxyphenyl) -7- (piperidin-4-yl) -4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular Formula
C24H27N5O2
Molecular Weight
417.51
API Name
Zanubrutinib

Chemical Information

Zanubrutinib Impurity 1
CAS Number1633352-71-2
PubChem CID136928097
IUPAC Name(7S)-2-(4-phenoxyphenyl)-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC24H27N5O2
Molecular Weight417.5
XLogP3
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity599
SMILES
C1CNC2=C(C(=NN2[C@@H]1C3CCNCC3)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C24H27N5O2/c25-23(30)21-22(17-6-8-19(9-7-17)31-18-4-2-1-3-5-18)28-29-20(12-15-27-24(21)29)16-10-13-26-14-11-16/h1-9,16,20,26-27H,10-15H2,(H2,25,30)/t20-/m0/s1
InChIKey
GNEOXABCHHVVEA-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Zanubrutinib Impurity 1
CAS: 1633352-71-2
CID: 136928097
Formula: C24H27N5O2
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass417.21647512
Monoisotopic Mass417.21647512
Topological Polar Surface Area94.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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