chempirical

Brivanib

C19H19FN4O3CAS 649735-46-6370.38 g/mol

Open in Covalent MOL file
FONNNOOHHN
AlcoholAryl halideEther

Properties

Molecular formula
C19H19FN4O3
Molar mass
370.38 g/mol
Exact mass
370.1441 Da
logP
3.52Crippen estimate
Polar surface area
84.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
649735-46-6
SMILES
Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1
InChIKey
WCWUXEGQKLTGDX-LLVKDONJSA-N
InChI
InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1

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Names and synonyms

4 names
  • 2-Propanol, 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy]-, (2R)-
  • (2R)-1-[[4-[(4-Fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy]-2-propanol
  • BMS 540215
  • (2R)-1-[4-[(4-Fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol

Work with Brivanib

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

Cediranib288383-20-042 % similar 4-Fluoro-2-methyl-1H-indol-5-ol288385-88-634 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook