Zanubrutinib[泽布替尼]

1691249-45-2

CAS Name

(7S)-4,5,6,7-Tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Molecular Formula

C₂₇H₂₉N₅O₃

Molecular Mass

471.55

Other Names and Identifiers

InChI

InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1

InChIKey

InChIKey=RNOAOAWBMHREKO-QFIPXVFZSA-N

SMILES

C(N)(=O)C1=C2N([C@@H](CCN2)C3CCN(C(C=C)=O)CC3)N=C1C4=CC=C(OC5=CC=CC=C5)C=C4

Canonical SMILES

O=C(N)C=1C(=NN2C1NCCC2C3CCN(C(=O)C=C)CC3)C=4C=CC(OC=5C=CC=CC5)=CC4

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

1651179-04-2