Gsk-J1

C₂₂H₂₃N₅O₂CAS 1373422-53-7389.46 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine Tertiary amine

Properties

Molecular formula: C₂₂H₂₃N₅O₂
Molar mass: 389.46 g/mol
Exact mass: 389.1852 Da
logP: 3.03Crippen estimate
Polar surface area: 91.2 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 6

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

1373422-53-7

SMILES

C1CN(CCC2=CC=CC=C21)C3=NC(=NC(=C3)NCCC(=O)O)C4=CC=CC=N4

InChIKey

AVZCPICCWKMZDT-UHFFFAOYSA-N

InChI

InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)

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

Names and synonyms

1 names

Gsk J1

Work with Gsk-J1

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

Gsk-J41373423-53-070 % similar Gsk-J4 hydrochloride1797983-09-567 % similar 3-(Pyridin-2-yl)propanoic acid15197-75-838 % similar 2,2':6',2''-Terpyridine-4'-carboxylic acid148332-36-934 % similar 4-[2,2':6',2''-Terpyridin]-4'-ylbenzoic acid158014-74-534 % similar 3-(2-Chlorophenyl)propionic acid1643-28-333 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-632 % similar 2,4,6-Tris(2′-pyridyl)-1,3,5-triazine3682-35-732 % similar

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

Elsewhere

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