Propanedioic acid, compd. with 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one (1:1)

CAS Registry Number®

2140301-97-7

CAS Name

Propanedioic acid, compd. with 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one (1:1)

Molecular Formula

C15H19N5O.C3H4O4

Cite this Page

Propanedioic acid, compd. with 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2140301-97-7 (retrieved 2024-11-21) (CAS RN: 2140301-97-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H19N5O.C3H4O4/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15;4-2(5)1-3(6)7/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19);1H2,(H,4,5)(H,6,7)/t10-,11+;/m0./s1

InChIKey

InChIKey=QMPMPSGDPRHZCG-VZXYPILPSA-N

SMILES

N(C1=C2C(=NC=N1)NC=C2)[C@H]3CN(C(C=C)=O)[C@@H](C)CC3.C(C(O)=O)C(O)=O

Canonical SMILES

O=C(O)CC(=O)O.O=C(C=C)N1CC(NC=2N=CN=C3NC=CC32)CCC1C

Other Names for this Substance

  • Propanedioic acid, compd. with 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one (1:1)
  • 1-[(2S,5R)-2-Methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one malonate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration