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Ribociclib Impurity 2

CAT: 1596-AR-R10890-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R10890-04Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2762182-61-4
Synonyms
7-cyclopentyl-2- ((5- (piperazin-1-yl) pyridin-2-yl) amino) -7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
Molecular Formula
C21H25N7O2
Molecular Weight
407.48
API Name
Ribociclib

Chemical Information

7-Cyclopentyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid
CAS Number2762182-61-4
PubChem CID67496949
IUPAC Name7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
Molecular FormulaC21H25N7O2
Molecular Weight407.5
XLogP0
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity596
SMILES
C1CCC(C1)N2C(=CC3=CN=C(N=C32)NC4=NC=C(C=C4)N5CCNCC5)C(=O)O
InChI
InChI=1S/C21H25N7O2/c29-20(30)17-11-14-12-24-21(26-19(14)28(17)15-3-1-2-4-15)25-18-6-5-16(13-23-18)27-9-7-22-8-10-27/h5-6,11-13,15,22H,1-4,7-10H2,(H,29,30)(H,23,24,25,26)
InChIKey
KKEUCZGFPZXMLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Cyclopentyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid
CAS: 2762182-61-4
CID: 67496949
Formula: C21H25N7O2
MW: 407.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.5
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass407.20697307
Monoisotopic Mass407.20697307
Topological Polar Surface Area108 Ų
Heavy Atom Count30
Formal Charge0
Complexity596
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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