chempirical

Nvp-bhg712

C26H20F3N7OCAS 940310-85-0503.49 g/mol

Open in Covalent MOL file
ONHFFFNHNNNNN
Alkyl halideAmideSecondary amine

Properties

Molecular formula
C26H20F3N7O
Molar mass
503.49 g/mol
Exact mass
503.1681 Da
logP
5.75Crippen estimate
Polar surface area
97.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

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
940310-85-0
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C
InChIKey
ZCCPLJOKGAACRT-UHFFFAOYSA-N
InChI
InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35)

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Names and synonyms

1 names
  • 4-Methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide

Work with Nvp-bhg712

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

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

Elsewhere

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