4-(6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)-2-((1R,4R)-4-hydroxycyclohexylamino)benzamide

C₂₃H₂₇F₃N₄O₃CAS 908112-43-6464.49 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Amide Ketone Secondary amine

Properties

Molecular formula: C₂₃H₂₇F₃N₄O₃
Molar mass: 464.49 g/mol
Exact mass: 464.2035 Da
logP: 3.86Crippen estimate
Polar surface area: 110.2 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 4

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

908112-43-6

SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C

InChIKey

ZFVRYNYOPQZKDG-UHFFFAOYSA-N

InChI

InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)

Weigh it out

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

Work with 4-(6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)-2-((1R,4R)-4-hydroxycyclohexylamino)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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook