chempirical

Doramapimod

C31H37N5O3CAS 285983-48-4527.67 g/mol

Open in Covalent MOL file
NNNHOHNONO
EtherTertiary amineUrea

Properties

Molecular formula
C31H37N5O3
Molar mass
527.67 g/mol
Exact mass
527.2896 Da
Melting point
142–143 °C
logP
5.99Crippen estimate
Polar surface area
80.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7

Identifiers

CAS number
285983-48-4
SMILES
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1
InChIKey
MVCOAUNKQVWQHZ-UHFFFAOYSA-N
InChI
InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)

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Names and synonyms

8 names
  • Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N′-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]-
  • N-[3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N′-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea
  • Birb 796
  • BIRB 796BS
  • 1-[5-tert-Butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
  • BRB 796
  • UNC 10225354
  • UNC10225354

Work with Doramapimod

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

N-[3-tert-Butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]-N'-[2-fluoro-4-[(2-(methylcarbamoyl)pyridin-4-yl)oxy]phenyl]urea1020172-07-936 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook