chempirical

2-(7H-Pyrrolo[2,3-D]pyrimidin-4-yl)isoindoline-1,3-dione

C14H8N4O2CAS 741686-49-7264.24 g/mol

Open in Covalent MOL file
ONONNNH
AmideLactam

Properties

Molecular formula
C14H8N4O2
Molar mass
264.24 g/mol
Exact mass
264.0647 Da
logP
1.76Crippen estimate
Polar surface area
79.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

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
741686-49-7
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC=NC4=C3C=CN4
InChIKey
YSYAPIRTBKWOCS-UHFFFAOYSA-N
InChI
InChI=1S/C14H8N4O2/c19-13-8-3-1-2-4-9(8)14(20)18(13)12-10-5-6-15-11(10)16-7-17-12/h1-7H,(H,15,16,17)

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Work with 2-(7H-Pyrrolo[2,3-D]pyrimidin-4-yl)isoindoline-1,3-dione

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

7-Deazahypoxanthine3680-71-541 % similar N-Phenylphthalimide520-03-640 % similar 2-(4-Chlorophenyl)-1H-isoindole-1,3(2H)-dione7386-21-240 % similar N-Methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine477600-73-039 % similar 1H-Pyrrolo[2,3-B]pyridine-4-carboxylic acid479553-01-038 % similar Epitofacitinib, (3R,4S)-1092578-46-538 % similar (3S,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile1092578-48-738 % similar Tofacitinib477600-75-238 % similar

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

Elsewhere

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