chempirical

Ripretinib

C24H21BrFN5O2CAS 1442472-39-0510.37 g/mol

Open in Covalent MOL file
NNOBrFNHONHNH
Aryl halideSecondary amineUrea

Properties

Molecular formula
C24H21BrFN5O2
Molar mass
510.37 g/mol
Exact mass
509.0863 Da
logP
5.67Crippen estimate
Polar surface area
88.0 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1442472-39-0
SMILES
CCN1C2=CC(=NC=C2C=C(C1=O)C3=CC(=C(C=C3Br)F)NC(=O)NC4=CC=CC=C4)NC
InChIKey
CEFJVGZHQAGLHS-UHFFFAOYSA-N
InChI
InChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)

Weigh it out

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

Work with Ripretinib

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

Elsewhere

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