CAS 1311254-62-2

1,1-Dimethylethyl N-[3-[[(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]amino]-4-methylphenyl]carbamate

Description:

1,1-Dimethylethyl N-[3-[[(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]amino]-4-methylphenyl]carbamate, identified by its CAS number 1311254-62-2, is a synthetic organic compound characterized by its complex molecular structure. It features a carbamate functional group, which is known for its applications in pharmaceuticals and agrochemicals. The presence of a chloro-substituted pyrrolopyridine moiety suggests potential biological activity, possibly as an inhibitor or modulator in various biochemical pathways. The dimethyl group contributes to steric hindrance, which may influence the compound's interaction with biological targets. This compound is likely to exhibit moderate to high lipophilicity due to its aromatic components, affecting its solubility and permeability. Additionally, the presence of multiple functional groups indicates potential for hydrogen bonding and reactivity, which could be relevant in drug design and development. Overall, this compound's unique structure may confer specific pharmacological properties, warranting further investigation in medicinal chemistry contexts.

Formula: C₂₀H₂₁ClN₄O₃

InChI: InChI=1S/C20H21ClN4O3/c1-11-5-6-12(23-19(27)28-20(2,3)4)9-15(11)24-18(26)14-10-22-17-13(14)7-8-16(21)25-17/h5-10H,1-4H3,(H,22,25)(H,23,27)(H,24,26)

InChI key: InChIKey=OLUHRZDTFGOHRV-UHFFFAOYSA-N

SMILES: C(NC1=CC(NC(OC(C)(C)C)=O)=CC=C1C)(=O)C=2C=3C(NC2)=NC(Cl)=CC3

Synonyms:

• Carbamic acid, N-[3-[[(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]amino]-4-methylphenyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[3-[[(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]amino]-4-methylphenyl]carbamate
• 4-(Boc-amino)-2-(6-chloro-1H-pyrrolo[2,3-B]pyridine-3-carboxamido)-toluene