Chemical identity

Ribociclib Impurity A

CAS 2762182-61-4 · C21H25N7O2

01Identity

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

Lazychem IDLC-26940
PubChem CID67496949
NameRibociclib Impurity A
CAS RN2762182-61-4
Molecular formulaC21H25N7O2
Molecular weight407.48 g/mol
IUPAC name7-Cyclopentyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid
InChIKeyKKEUCZGFPZXMLO-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 67496949
Two-dimensional chemical structure of Ribociclib Impurity A, CAS 2762182-61-4
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
SMILESC1CCC(C1)N2C(=CC3=CN=C(N=C32)NC4=NC=C(C=C4)N5CCNCC5)C(=O)O
InChINot listed
Formula from structureC21H25N7O2
Molecular weight from structure407.48 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 Ribociclib Impurity A 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 Ribociclib Impurity A, 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
C21H24N8O3
Candidate SMILES
O=NN(c1ccc(N2CCNCC2)cn1)c1ncc2cc(C(=O)O)n(C3CCCC3)c2n1
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C21H24N8O3
Candidate SMILES
O=NN1CCN(c2ccc(Nc3ncc4cc(C(=O)O)n(C5CCCC5)c4n3)nc2)CC1

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 2762182-61-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2762182-61-4 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

Ribociclib

View API and impurity family

Other names

  • Ribociclib Acid Impurity
  • 7-Cyclopentyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid
  • 2762182-61-4
  • 699846-35-0
  • HWE99P8MZR
  • SCHEMBL2685016
  • SCHEMBL29507453
  • 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 7-cyclopentyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-
  • 7-Cyclopentyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

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