(7R)-7-(1-Acryloyl-4-piperidinyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | CAS No. 1691249-44-1

(7R)-7-(1-Acryloyl-4-piperidinyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Basic Information

CAS Number

1691249-44-1

Molecular Formula

C27H29N5O3

Molecular Weight

471.56 g/mol

AD

Basic Physical Properties

Melting Point

No data available

Boiling Point

713.4±60.0 °C(Predicted)

Density

1.33±0.1 g/cm3(Predicted)

Flash Point

385.2±32.9 °C

Vapor Pressure

0.0±2.3 mmHg at 25°C

C=CC(=O)N1CCC(CC1)[C@H]2CCNc3n2nc(c3C(=O)N)c4ccc(cc4)Oc5ccccc5

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-/m1/s1

InChIKey

RNOAOAWBMHREKO-JOCHJYFZSA-N

LogP

4.222600000000002

pKa

15.35±0.40(Predicted)

Topological Polar Surface Area

102.48 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Synonyms & References

English

  • (R)-Zanubrutinib
  • (R)-BGB-3111
  • Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)-, (7R)-
  • Zanubrutinib Impurity 1 ((R)-Zanubrutinib)
  • (R)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

MDL Number

MFCD31567462

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