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Ribociclib Impurity 7

CAT: 1299-RM-R090207-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R090207-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2460732-08-3
Synonyms
7-cyclopentyl-2- ((5- (4-formylpiperazin-1-yl) pyridin-2-yl) amino) -N, N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Molecular Formula
C24H30N8O2
Molecular Weight
462.56
Target Alternative Name
Ribociclib
Product Name Synonym
7-cyclopentyl-2- ((5- (4-formylpiperazin-1-yl) pyridin-2-yl) amino) -N, N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

Chemical Information

N-formyl Ribociclib
CAS Number2460732-08-3
PubChem CID169440472
IUPAC Name7-cyclopentyl-2-[[5-(4-formylpiperazin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
Molecular FormulaC24H30N8O2
Molecular Weight462.5
XLogP2.1
Topological Polar Surface Area99.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity709
SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCN(CC5)C=O
InChI
InChI=1S/C24H30N8O2/c1-29(2)23(34)20-13-17-14-26-24(28-22(17)32(20)18-5-3-4-6-18)27-21-8-7-19(15-25-21)31-11-9-30(16-33)10-12-31/h7-8,13-16,18H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
InChIKey
YMEJYAIVWRJYOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-formyl Ribociclib
CAS: 2460732-08-3
CID: 169440472
Formula: C24H30N8O2
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass462.24917223
Monoisotopic Mass462.24917223
Topological Polar Surface Area99.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity709
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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