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Ribociclib Impurity 5

CAT: 1299-RM-R090205-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R090205-02Size:25 mg
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CAS Number
1211441-59-6
Synonyms
7-cyclopentyl-N-methyl-2- ((5- (piperazin-1-yl) pyridin-2-yl) amino) -7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Molecular Formula
C22H28N8O
Molecular Weight
420.52
Target Alternative Name
Ribociclib
Product Name Synonym
7-cyclopentyl-N-methyl-2- ((5- (piperazin-1-yl) pyridin-2-yl) amino) -7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

Chemical Information

Unii-dhw0CP4K4J
CAS Number1211441-59-6
PubChem CID44818949
IUPAC Name7-cyclopentyl-N-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
Molecular FormulaC22H28N8O
Molecular Weight420.5
XLogP2
Topological Polar Surface Area100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity608
SMILES
CNC(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5
InChI
InChI=1S/C22H28N8O/c1-23-21(31)18-12-15-13-26-22(28-20(15)30(18)16-4-2-3-5-16)27-19-7-6-17(14-25-19)29-10-8-24-9-11-29/h6-7,12-14,16,24H,2-5,8-11H2,1H3,(H,23,31)(H,25,26,27,28)
InChIKey
ZSJOEUYXGLSYHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unii-dhw0CP4K4J
CAS: 1211441-59-6
CID: 44818949
Formula: C22H28N8O
MW: 420.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass420.23860755
Monoisotopic Mass420.23860755
Topological Polar Surface Area100 Ų
Heavy Atom Count31
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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