Selitrectinib

C20H21FN6OCAS 2097002-61-2380.43 g/mol

Open in Covalent MOL file
NFNNNNONH
AmideAryl halideLactamTertiary amine

Properties

Molecular formula
C20H21FN6O
Molar mass
380.43 g/mol
Exact mass
380.1761 Da
logP
2.67Crippen estimate
Polar surface area
75.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
0
Stereocentres
R, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
2097002-61-2
SMILES
C[C@@H]1CCC2=C(C=C(C=N2)F)[C@H]3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1
InChIKey
OEBIHOVSAMBXIB-SJKOYZFVSA-N
InChI
InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1

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Names and synonyms

1 names
  • Loxo-195

Work with Selitrectinib

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

(R)-5-(2-(2,5-Difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-A]pyrimidin-3-amine1223404-88-348 % similar Larotrectinib sulfate1223405-08-042 % similar (3S)-N-[5-[(2R)-2-(2,5-Difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxy-1-pyrrolidinecarboxamide1223403-58-441 % similar Repotrectinib1802220-02-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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