tert-Butyl (S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate

Name: tert-Butyl (S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
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CAS No. 2212021-61-7
Cat. No. CS-0619769
Molecule weight441.50
Purity≥98%
MDL No.None

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tert-Butyl (S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate|CS-0619769

Structure of 2212021-61-7

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General Information

CAS No. 2212021-61-7
Cat. No. CS-0619769
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₃H₂₈FN₅O₃
Molecular Weight 441.50
Synonym(s) None
SMILES C[C@H]1C2=C(N3C(NC=C3)=O)N(C4=CC(C)=C(C(C)=C4)F)N=C2CCN1C(OC(C)(C)C)=O

Description

tert-Butyl (S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate is a chiral pyrazolopyridine derivative featuring a fluorinated aryl group and a masked imidazolone moiety. This bench-stable compound integrates readily into synthetic sequences requiring electron-rich heterocycles with defined stereochemistry, enabling efficient access to complex scaffolds in medicinal chemistry.

Application

tert-Butyl (S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate serves as a versatile scaffold for medicinal chemistry campaigns, enabling efficient access to complex heterocyclic architectures. Its bench-stable tert-butyl ester facilitates straightforward deprotection, while the fused pyrazolo[4,3-c]pyridine core and ortho-substituted aryl moiety support diverse functionalization and coupling strategies in standard synthetic workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 85.15
LogP 3.96144
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Amide

Building Blocks Skeleton Aromatic heterocycle compounds Imidazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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tert-Butyl (S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate

CAS No. 2212021-61-7

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