chempirical

N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine

C20H16FN5O3CAS 1421372-94-2393.38 g/mol

Open in Covalent MOL file
NNNNHOFN+OO−
Aryl halideEtherNitroSecondary amine

Properties

Molecular formula
C20H16FN5O3
Molar mass
393.38 g/mol
Exact mass
393.1237 Da
logP
4.43Crippen estimate
Polar surface area
95.1 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5

Identifiers

CAS number
1421372-94-2
SMILES
CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC)F)[N+](=O)[O-]
InChIKey
SZTYQQYYIMVETL-UHFFFAOYSA-N
InChI
InChI=1S/C20H16FN5O3/c1-25-11-13(12-5-3-4-6-17(12)25)15-7-8-22-20(23-15)24-16-10-18(26(27)28)14(21)9-19(16)29-2/h3-11H,1-2H3,(H,22,23,24)

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Names and synonyms

1 names
  • N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine

Work with N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine

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

N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine1421372-67-972 % similar Mutated egfr-in-11421372-66-857 % similar Osimertinib1421373-65-050 % similar Osimertinib mesylate1421373-66-147 % similar 3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole1032452-86-041 % similar 4-Fluoro-2-methoxy-5-nitroaniline1075705-01-939 % similar Tak-7881847461-43-137 % similar Az-51041421373-98-936 % similar

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

Elsewhere

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