Isopropyl 2-{[5-(acryloylamino)-4-{[2-(dimethylamino)ethyl](methyl)amino}-2-methoxyphenyl]amino}-4-(1-methyl-1H-indol-3-yl)-5-pyrimidinecarboxylate | CAS No. 1847461-43-1

Isopropyl 2-{[5-(acryloylamino)-4-{[2-(dimethylamino)ethyl](methyl)amino}-2-methoxyphenyl]amino}-4-(1-methyl-1H-indol-3-yl)-5-pyrimidinecarboxylate

Basic Information

CAS Number

1847461-43-1

Molecular Formula

C32H39N7O4

Molecular Weight

585.71 g/mol

AD

Basic Physical Properties

Solubility

152mg/mL @ pH 1.0; >17.6 mg/mL @ pH 6.8

CN(C)CCN(C)C1C=C(OC)C(=CC=1NC(=O)C=C)NC1=NC(C2=CN(C)C3C=CC=CC2=3)=C(C=N1)C(=O)OC(C)C

InChI

InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)

InChIKey

AZSRSNUQCUDCGG-UHFFFAOYSA-N

LogP

5.075000000000004

Topological Polar Surface Area

113.85000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 11

Complexity

935

Synonyms & References

English

  • Mobocertinib
  • mobocertinib (proposed INN)
  • TAK788
  • 39HBQ4A67L
  • GTPL10468
  • BDBM368374
  • US10227342, Example 10
  • example 94 [WO2015195228A1]
  • propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
  • AP32788
  • Isopropyl 2-((5-acrylamido-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyphenyl)amino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate
  • 1-Methylethyl 2-[[4-[[2-(dimethylamino)ethyl]methylamino]-2-methoxy-5-[(1-oxo-2-propen-1-yl)amino]phenyl]amino]-4-(1-methyl-1H-indo

MDL Number

MFCD32669806

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