Chemical identity

2K77Z2EBF5

CAS 1633352-71-2 · C24H27N5O2

01Identity

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

Lazychem IDLC-31036
PubChem CID136928097
Name2K77Z2EBF5
CAS RN1633352-71-2
Molecular formulaC24H27N5O2
Molecular weight417.51 g/mol
IUPAC name(S)-2-(4-phenoxyphenyl)-7-(piperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
InChIKeyGNEOXABCHHVVEA-FQEVSTJZSA-N

02Structure identifiers

2D structurePubChem CID 136928097
2D structure: 2K77Z2EBF5, CAS 1633352-71-2
Structure of 2K77Z2EBF5 (CAS 1633352-71-2). LazyChem record. Source identity: PubChem CID 136928097. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC24H27N5O2
InChIKeyGNEOXABCHHVVEA-FQEVSTJZSA-N
Ring count5
Defined stereocentres1
Unassigned stereocentres0
SMILESC1CNC2=C(C(=NN2[C@@H]1C3CCNCC3)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N
InChIInChI=1S/C24H27N5O2/c25-23(30)21-22(17-6-8-19(9-7-17)31-18-4-2-1-3-5-18)28-29-20(12-15-27-24(21)29)16-10-13-26-14-11-16/h1-9,16,20,26-27H,10-15H2,(H2,25,30)/t20-/m0/s1

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to 2K77Z2EBF5, CAS 1633352-71-2
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1633352-71-2 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1633352-71-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Zanubrutinib

View API and impurity family

Other names

  • Zanubrutinib Impurity 15
  • Zanubrutinib Impurity 1
  • GNEOXABCHHVVEA-FQEVSTJZSA-N
  • (7S)-4,5,6,7-Tetrahydro-2-(4-phenoxyphenyl)-7-(4-piperidinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • 2-(4-Phenoxyphenyl)-7-(piperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, (S)-
  • Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-2-(4-phenoxyphenyl)-7-(4-piperidinyl)-, (7S)-

Related records from the same parent family

07Documented 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.

08Sources