Chemical identity

Desoxo-Palbociclib/ Palbociclib 6-Vinyl Analog

CAS 2204863-06-7 · C24H29N7O

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-12490
PubChem CID118703740
NameDesoxo-Palbociclib/ Palbociclib 6-Vinyl Analog
CAS RN2204863-06-7
Molecular formulaC24H29N7O
Molecular weight431.53 g/mol
IUPAC name8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-6-vinylpyrido[2,3-d]pyrimidin-7(8H)-one
InChIKeyBAMRZESJXFABIT-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 118703740
Two-dimensional chemical structure of Desoxo-Palbociclib/ Palbociclib 6-Vinyl Analog, CAS 2204863-06-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count5
Secondary amines2
Tertiary amines1
N-methyl amine sites0
SMILESCC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C=C
InChINot listed
Formula from structureC24H29N7O
Molecular weight from structure431.53 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site2 candidates
Chemical structure of Desoxo-Palbociclib/ Palbociclib 6-Vinyl Analog with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Desoxo-Palbociclib/ Palbociclib 6-Vinyl Analog, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C24H28N8O2
Candidate SMILES
C=Cc1c(C)c2cnc(N(N=O)c3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C24H28N8O2
Candidate SMILES
C=Cc1c(C)c2cnc(Nc3ccc(N4CCN(N=O)CC4)cn3)nc2n(C2CCCC2)c1=O

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 2204863-06-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2204863-06-7 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Palbociclib

View API and impurity family

Other names

  • Desoxo-Palbociclib
  • 8-cyclopentyl-5-Methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)aMino)-6-vinylpyrido[2,3-d]pyriMidin-7(8H)-one
  • 2204863-06-7
  • F76457EUS8
  • 8-cyclopentyl-6-ethenyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one
  • Palbociclib Impurity 29
  • Pyrido(2,3-d)pyrimidin-7(8H)-one, 8-cyclopentyl-6-ethenyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-
  • Palbociclib Impurity-2
  • Palbociclib Impurity D
  • 8-Cyclopentyl-6-ethenyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)pyrido(2,3-d)pyrimidin-7(8H)-one
  • UNII-F76457EUS8
  • orb3181323

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources