N-[5-(4-Cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

C₂₀H₁₃N₅OCAS 1093222-27-5339.36 g/mol

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Properties

Molecular formula: C₂₀H₁₃N₅O
Molar mass: 339.36 g/mol
Exact mass: 339.1120 Da
logP: 3.75Crippen estimate
Polar surface area: 94.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

1093222-27-5

SMILES

C1=CC(=CN=C1)C(=O)NC2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)C#N

InChIKey

JTSLALYXYSRPGW-UHFFFAOYSA-N

InChI

InChI=1S/C20H13N5O/c21-9-13-3-5-14(6-4-13)16-8-17-18(12-24-19(17)23-11-16)25-20(26)15-2-1-7-22-10-15/h1-8,10-12H,(H,23,24)(H,25,26)

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Names and synonyms

1 names

N-[5-(4-Cyanophenyl)-1H-pyrrolo[2,3-B]pyridin-3-yl]-3-pyridinecarboxamide

Work with N-[5-(4-Cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

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

1H-Pyrrolo[2,3-B]pyridine-3-carbonitrile4414-89-533 % similar Nicotinonitrile100-54-933 % similar Mocetinostat726169-73-932 % similar 4-Cyanobenzophenone1503-49-731 % similar

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

Elsewhere

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