chempirical

N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide

C28H29F3N4O4CAS 1628838-42-5542.56 g/mol

Open in Covalent MOL file
NNHOFFFNOONO
Alkyl halideAmideEtherTertiary amine

Properties

Molecular formula
C28H29F3N4O4
Molar mass
542.56 g/mol
Exact mass
542.2141 Da
logP
5.12Crippen estimate
Polar surface area
85.8 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6

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
1628838-42-5
SMILES
CC1=C(C=C(C=N1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=C(N=C3)OC4CCOCC4)N5CCOCC5
InChIKey
FYNMINFUAIDIFL-UHFFFAOYSA-N
InChI
InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36)

Weigh it out

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

Names and synonyms

1 names
  • Raf709

Work with N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide

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

3-(Trifluoromethyl)benzoic acid hydrazide22227-25-433 % similar Morniflumate65847-85-033 % similar 3-Amino-4-(4-morpholino)benzotrifluoride784-57-631 % similar Ethyl 3-(trifluoromethyl)benzoate76783-59-030 % similar 6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-D]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide371942-69-730 % similar Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate1717-42-630 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook