chempirical

Repotrectinib

C18H18FN5O2CAS 1802220-02-5355.37 g/mol

Open in Covalent MOL file
NHONNNNHOF
AmideAryl halideEtherLactamSecondary amine

Properties

Molecular formula
C18H18FN5O2
Molar mass
355.37 g/mol
Exact mass
355.1445 Da
logP
2.55Crippen estimate
Polar surface area
80.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0
Stereocentres
S, 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
1802220-02-5
SMILES
C[C@H]1CNC(=O)C2=C3N=C(C=CN3N=C2)N[C@@H](C4=C(O1)C=CC(=C4)F)C
InChIKey
FIKPXCOQUIZNHB-WDEREUQCSA-N
InChI
InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • Tpx-0005

Work with Repotrectinib

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

Selitrectinib2097002-61-238 % similar 6-Fluoro-2-methyl-4-chromanone88754-96-536 % similar Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate1224944-77-730 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook