2-[5-[3-Amino-6-(4-isopropylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)phenol

HCID 136117294

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Basic information

Standard SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)c(O)c1
InChIKey: JBNNWHYGDVCOGP-UHFFFAOYSA-N
Molecular formula: C23H24N6O4S
Average molar mass: 480.5 g/mol

Names & identifiers

Preferred name: 2-[5-[3-Amino-6-(4-isopropylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)phenol
IUPAC: 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)phenol

Names & synonyms

2-[5-[3-amino-6-(4-isopropylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)phenolSCHEMBL3063150CHEMBL5858657JBNNWHYGDVCOGP-UHFFFAOYSA-NBDBM420792US10479784, Compound IA-291

Database identifiers

PubChem CID: 136117294
ChEMBL: CHEMBL5858657

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 166 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 757

Related reactions

1 records

New reaction record

HRID 78673As productuspto-grants-2014_09

Compound notes

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