Chemical identity

Tert-Butyl 3-(5-(3-Cyano-6-(2-Hydroxy-2-Methylpropoxy)Pyrazolo[1,5-A]Pyridin-4-Yl)Pyridin-2-Yl)-3,6-Diazabicyclo[3.1.1]Heptane-6-Carboxylate

CAS 2222755-94-2 · C27H32N6O4

01Identity

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

Lazychem IDLC-29259
PubChem CID134435575
NameTert-Butyl 3-(5-(3-Cyano-6-(2-Hydroxy-2-Methylpropoxy)Pyrazolo[1,5-A]Pyridin-4-Yl)Pyridin-2-Yl)-3,6-Diazabicyclo[3.1.1]Heptane-6-Carboxylate
CAS RN2222755-94-2
Molecular formulaC27H32N6O4
Molecular weight504.59 g/mol
IUPAC nameTert-Butyl 3-(5-(3-Cyano-6-(2-Hydroxy-2-Methylpropoxy)Pyrazolo[1,5-A]Pyridin-4-Yl)Pyridin-2-Yl)-3,6-Diazabicyclo[3.1.1]Heptane-6-Carboxylate
InChIKeyDEMIZSDKOCCOGF-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 134435575
Two-dimensional chemical structure of Tert-Butyl 3-(5-(3-Cyano-6-(2-Hydroxy-2-Methylpropoxy)Pyrazolo[1,5-A]Pyridin-4-Yl)Pyridin-2-Yl)-3,6-Diazabicyclo[3.1.1]Heptane-6-Carboxylate, CAS 2222755-94-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count6
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCC(C)(C)OC(=O)N1C2CC1CN(C2)C3=NC=C(C=C3)C4=CC(=CN5C4=C(C=N5)C#N)OCC(C)(C)O
InChINot listed
Formula from structureC27H32N6O4
Molecular weight from structure504.59 g/mol

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

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 2222755-94-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2222755-94-2 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

Selpercatinib

View API and impurity family

Other names

  • tert-Butyl 3-(5-(3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl)pyridin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
  • 2222755-94-2
  • 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-, 1,1-dimethylethyl ester
  • starbld0001967
  • CHEMBL5996437
  • SCHEMBL20070102
  • SCHEMBL29759442
  • BDBM296523
  • US10112942, Example 257

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