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Palbociclib Impurity 9

CAT: 1299-RM-P020335-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P020335-04Size:100 mg
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CAS Number
571191-15-6
Synonyms
6-acetyl-2- ((5- ((2-aminoethyl) amino) pyridin-2-yl) amino) -8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7 (8H) -one
Molecular Formula
C22H27N7O2
Molecular Weight
421.5
Target Alternative Name
Palbociclib
Product Name Synonym
6-acetyl-2- ((5- ((2-aminoethyl) amino) pyridin-2-yl) amino) -8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7 (8H) -one

Chemical Information

2-Aminoethyl-amino Palbociclib
CAS Number571191-15-6
PubChem CID22329976
IUPAC Name6-acetyl-2-[[5-(2-aminoethylamino)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC22H27N7O2
Molecular Weight421.5
XLogP1.4
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity706
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)NCCN)C4CCCC4)C(=O)C
InChI
InChI=1S/C22H27N7O2/c1-13-17-12-26-22(27-18-8-7-15(11-25-18)24-10-9-23)28-20(17)29(16-5-3-4-6-16)21(31)19(13)14(2)30/h7-8,11-12,16,24H,3-6,9-10,23H2,1-2H3,(H,25,26,27,28)
InChIKey
YDDZYJNEXVSNOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Aminoethyl-amino Palbociclib
CAS: 571191-15-6
CID: 22329976
Formula: C22H27N7O2
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass421.22262313
Monoisotopic Mass421.22262313
Topological Polar Surface Area126 Ų
Heavy Atom Count31
Formal Charge0
Complexity706
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