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Niraparib Impurity 5

CAT: 1299-RM-N090105-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N090105-01Size:10 mg
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CAS Number
2244220-34-4
Synonyms
Methyl (S) -2- (4- (piperidin-3-yl) phenyl) -2H-indazole-7-carboxylate
Molecular Formula
C20H21N3O2
Molecular Weight
335.41
Target Alternative Name
Niraparib
Product Name Synonym
Methyl (S) -2- (4- (piperidin-3-yl) phenyl) -2H-indazole-7-carboxylate

Chemical Information

L8RF9AG233
CAS Number2244220-34-4
PubChem CID141482258
IUPAC Namemethyl 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylate
Molecular FormulaC20H21N3O2
Molecular Weight335.4
XLogP3.2
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity464
SMILES
COC(=O)C1=CC=CC2=CN(N=C21)C3=CC=C(C=C3)[C@@H]4CCCNC4
InChI
InChI=1S/C20H21N3O2/c1-25-20(24)18-6-2-4-16-13-23(22-19(16)18)17-9-7-14(8-10-17)15-5-3-11-21-12-15/h2,4,6-10,13,15,21H,3,5,11-12H2,1H3/t15-/m1/s1
InChIKey
KVOTYRJIHODCAI-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of L8RF9AG233
CAS: 2244220-34-4
CID: 141482258
Formula: C20H21N3O2
MW: 335.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass335.16337692
Monoisotopic Mass335.16337692
Topological Polar Surface Area56.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity464
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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