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Ribociclib Impurity 15

CAT: 1299-RM-R090215-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R090215-01Size:10 mg
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CAS Number
2069953-39-3
Synonyms
2- ((7-cyclopentyl-6- (dimethylcarbamoyl) -7H-pyrrolo[2,3-d]pyrimidin-2-yl) amino) -5- (piperazin-1-yl) pyridine 1-oxide
Molecular Formula
C23H30N8O2
Molecular Weight
450.55
Target Alternative Name
Ribociclib
Product Name Synonym
2- ((7-cyclopentyl-6- (dimethylcarbamoyl) -7H-pyrrolo[2,3-d]pyrimidin-2-yl) amino) -5- (piperazin-1-yl) pyridine 1-oxide

Chemical Information

Ribociclib pyridine N-oxide
CAS Number2069953-39-3
PubChem CID141466884
IUPAC Name7-cyclopentyl-2-[(Z)-(1-hydroxy-5-piperazin-1-yl-2-pyridinylidene)amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
Molecular FormulaC23H30N8O2
Molecular Weight450.5
XLogP0.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity815
SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)/N=C\4/C=CC(=CN4O)N5CCNCC5
InChI
InChI=1S/C23H30N8O2/c1-28(2)22(32)19-13-16-14-25-23(27-21(16)31(19)17-5-3-4-6-17)26-20-8-7-18(15-30(20)33)29-11-9-24-10-12-29/h7-8,13-15,17,24,33H,3-6,9-12H2,1-2H3/b26-20-
InChIKey
ZDUURROEKWAQFW-QOMWVZHYSA-N
Chemical Structure
2D Structure
2D structure of Ribociclib pyridine N-oxide
CAS: 2069953-39-3
CID: 141466884
Formula: C23H30N8O2
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass450.24917223
Monoisotopic Mass450.24917223
Topological Polar Surface Area102 Ų
Heavy Atom Count33
Formal Charge0
Complexity815
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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