3-cyclopentyl-N-[5-(4-hydroxy-tetrahydro-pyran-4-ylethynyl)-pyrazin-2-yl]-2(R)-(4-methanesulfonyl-3-methyl-phenyl)-propionamide

HCID 10029366

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc([C@@H](CC2CCCC2)C(=O)Nc2cnc(C#CC3(O)CCOCC3)cn2)ccc1S(C)(=O)=O
InChIKey: KWJVACCSWSWVRJ-HSZRJFAPSA-N
Molecular formula: C27H33N3O5S
Average molar mass: 511.6 g/mol

Names & identifiers

Preferred name: 3-cyclopentyl-N-[5-(4-hydroxy-tetrahydro-pyran-4-ylethynyl)-pyrazin-2-yl]-2(R)-(4-methanesulfonyl-3-methyl-phenyl)-propionamide
IUPAC: (2R)-3-cyclopentyl-N-[5-[2-(4-hydroxyoxan-4-yl)ethynyl]pyrazin-2-yl]-2-(3-methyl-4-methylsulfonylphenyl)propanamide

Names & synonyms

SCHEMBL2644503KWJVACCSWSWVRJ-HSZRJFAPSA-N3-cyclopentyl-N-[5-(4-hydroxy-tetrahydro-pyran-4-ylethynyl)-pyrazin-2-yl]-2(R)-(4-methanesulfonyl-3-methyl-phenyl)-propionamide

Database identifiers

PubChem CID: 10029366

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 127 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 924

Related reactions

1 records

New reaction record

HRID 719968As productuspto-grants-2006_11

Compound notes

Loading…