chempirical

Sunitinib

C22H27FN4O2CAS 557795-19-4398.48 g/mol

Open in Covalent MOL file
NNHONHONHF
AlkeneAryl halideTertiary amine

Properties

Molecular formula
C22H27FN4O2
Molar mass
398.48 g/mol
Exact mass
398.2118 Da
logP
4.56Crippen estimate
Polar surface area
84.2 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
7

Identifiers

CAS number
557795-19-4
SMILES
CCN(CC)CCN=C(O)c1c(C)[nH]c(/C=C2C(O)=Nc3ccc(F)cc32)c1C
InChIKey
WINHZLLDWRZWRT-ATVHPVEESA-N
InChI
InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-

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Names and synonyms

4 names
  • 1H-Pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-
  • N-[2-(Diethylamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
  • 5-(5-Fluoro-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid N-(2-diethylaminoethyl)amide
  • (Z)-Sunitinib

Work with Sunitinib

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

(3Z)-5-[[(2,6-Dichlorophenyl)methyl]sulfonyl]-3-[[3,5-dimethyl-4-[[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrrol-2-yl]methylene]-1,3-dihydro-2H-indol-2-one477575-56-740 % similar Orantinib252916-29-339 % similar Semaxinib204005-46-933 % similar Tiapride51012-32-931 % similar Metoclopramide364-62-531 % similar Tiapride hydrochloride51012-33-030 % similar

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

Elsewhere

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