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.

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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

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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

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