MK-2206 dihydrochloride

C₂₅H₂₃Cl₂N₅OCAS 1032350-13-2480.39 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₂₅H₂₃Cl₂N₅O
Molar mass: 480.39 g/mol
Exact mass: 479.1280 Da
logP: 5.50Crippen estimate
Polar surface area: 89.3 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

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

1032350-13-2

SMILES

Cl.Cl.NC1(c2ccc(-c3nc4ccn5c(O)nnc5c4cc3-c3ccccc3)cc2)CCC1

InChIKey

HWUHTJIKQZZBRA-UHFFFAOYSA-N

InChI

InChI=1S/C25H21N5O.2ClH/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31;;/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31);2*1H

Weigh it out

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

Names and synonyms

2 names

Mk 2206 dihydrochloride
1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one, 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-, hydrochloride (1:2)

Work with MK-2206 dihydrochloride

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

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