chempirical

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. Search the SDS library

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

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook