chempirical

Momelotinib

C23H22N6O2CAS 1056634-68-4414.47 g/mol

Open in Covalent MOL file
NNHONNHNON
AmideEtherNitrileSecondary amineTertiary amine

Properties

Molecular formula
C23H22N6O2
Molar mass
414.47 g/mol
Exact mass
414.1804 Da
logP
2.98Crippen estimate
Polar surface area
103.2 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
6

Identifiers

CAS number
1056634-68-4
SMILES
N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIKey
ZVHNDZWQTBEVRY-UHFFFAOYSA-N
InChI
InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)

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Names and synonyms

8 names
  • Benzamide, N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]-
  • N-(Cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamide
  • CYT 387
  • CYT 11387
  • CYT-0387
  • GS 0387
  • N-(Cyanomethyl)-4-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide
  • CYT 387 mesylate

Work with Momelotinib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4′-Morpholinoacetophenone39910-98-039 % similar Imatinib152459-95-533 % similar Moclobemide71320-77-933 % similar Mocetinostat726169-73-932 % similar 4-[(4-Chloro-2-pyrimidinyl)amino]benzonitrile244768-32-930 % similar Gedatolisib1197160-78-330 % similar Imatinib mesylate220127-57-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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