N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide

C₂₄H₂₅ClN₆OSCAS 1214265-57-2481.02 g/mol

Open in Covalent MOL file

Alkene Aryl halide Secondary amine Sulfide Tertiary amine

Properties

Molecular formula: C₂₄H₂₅ClN₆OS
Molar mass: 481.02 g/mol
Exact mass: 480.1499 Da
logP: 5.55Crippen estimate
Polar surface area: 76.9 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 7

Identifiers

CAS number

1214265-57-2

SMILES

C=CC(O)=Nc1cccc(Sc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1

InChIKey

KIISCIGBPUVZBF-UHFFFAOYSA-N

InChI

InChI=1S/C24H25ClN6OS/c1-3-22(32)27-18-5-4-6-20(15-18)33-23-21(25)16-26-24(29-23)28-17-7-9-19(10-8-17)31-13-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Propenamide, N-[3-[[5-chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-

Work with N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide

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

Olmutinib1353550-13-655 % similar Wz31461214265-56-150 % similar Wz40021213269-23-840 % similar Adavosertib955365-80-737 % similar 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-630 % similar

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

Elsewhere

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