3-(2,4-Dimethoxyphenyl)-4-(thiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine

C₁₉H₁₆N₂O₂SCAS 1613710-01-2336.41 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₁₆N₂O₂S
Molar mass: 336.41 g/mol
Exact mass: 336.0932 Da
logP: 4.98Crippen estimate
Polar surface area: 47.1 Å²
H-bond donors / acceptors: 1 / 4
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

1613710-01-2

SMILES

COC1=CC(=C(C=C1)C2=CNC3=NC=CC(=C23)C4=CSC=C4)OC

InChIKey

WEHOIIGXTMKVRG-UHFFFAOYSA-N

InChI

InChI=1S/C19H16N2O2S/c1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12/h3-11H,1-2H3,(H,20,21)

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Names and synonyms

1 names

Arn-3236

Work with 3-(2,4-Dimethoxyphenyl)-4-(thiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine

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

4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-932 % similar 1-Iodo-2,4-dimethoxybenzene20469-63-032 % similar 1,2,4-Trimethoxybenzene135-77-332 % similar 3-Methoxythiophene17573-92-132 % similar 6-Methoxy-4-methylquinoline41037-26-731 % similar 4,4'-Dimethoxy-2,2'-bipyridyl17217-57-131 % similar 2,4-Dimethoxybenzylamine20781-20-830 % similar 2,4-Dimethoxyaniline2735-04-830 % similar

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

Elsewhere

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