chempirical

Linifanib

C21H18FN5OCAS 796967-16-3375.41 g/mol

Open in Covalent MOL file
FNHOHNNHNH2N
Aryl halidePrimary amine

Properties

Molecular formula
C21H18FN5O
Molar mass
375.41 g/mol
Exact mass
375.1495 Da
Melting point
209–211 °C
logP
4.92Crippen estimate
Polar surface area
99.3 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
796967-16-3
SMILES
Cc1ccc(F)c(N=C(O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
InChIKey
MPVGZUGXCQEXTM-UHFFFAOYSA-N
InChI
InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)

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Names and synonyms

7 names
  • Linigfanib
  • RG 3635
  • AL 39324
  • 1-[4-(3-Amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
  • Urea, N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N′-(2-fluoro-5-methylphenyl)-
  • N-[4-(3-Amino-1H-indazol-4-yl)phenyl]-N′-(2-fluoro-5-methylphenyl)urea
  • ABT 869

Work with Linifanib

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-Bromo-1H-indazol-3-amine914311-50-532 % similar N-(6,8-Difluoro-2-methyl-4-quinolinyl)-N′-[4-(dimethylamino)phenyl]urea288150-92-532 % similar 4-Iodo-1H-indazol-3-amine599191-73-831 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook