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Palbociclib N-Aldehyde

CAT: 1596-AR-P29873-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P29873-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2174002-16-3
Synonyms
4- (6- ((6-Acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl) amino) pyridin-3-yl) piperazine-1-carbaldehyde
Molecular Formula
C25H29N7O3
Molecular Weight
475.55
API Name
Palbociclib

Chemical Information

Palbociclib Impurity 025
CAS Number2174002-16-3
PubChem CID154634180
IUPAC Name4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carbaldehyde
Molecular FormulaC25H29N7O3
Molecular Weight475.5
XLogP1.8
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity850
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C=O)C5CCCC5)C(=O)C
InChI
InChI=1S/C25H29N7O3/c1-16-20-14-27-25(28-21-8-7-19(13-26-21)31-11-9-30(15-33)10-12-31)29-23(20)32(18-5-3-4-6-18)24(35)22(16)17(2)34/h7-8,13-15,18H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
InChIKey
KVICSWHDXLNVAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Palbociclib Impurity 025
CAS: 2174002-16-3
CID: 154634180
Formula: C25H29N7O3
MW: 475.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass475.23318781
Monoisotopic Mass475.23318781
Topological Polar Surface Area112 Ų
Heavy Atom Count35
Formal Charge0
Complexity850
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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