[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen

C20H31N7O4S — CID 157200636

About [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen

[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen (PubChem CID 157200636) has the molecular formula C20H31N7O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen
• PubChem CID: 157200636
• Molecular Formula: C20H31N7O4S
• Molecular Weight: 465.58 g/mol
• Exact Mass: 465.22
• IUPAC Name: [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(C(=O)N4CCC(N)C4)o3)n2)cc1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C20H23N7O4S.4H2/c1-11(2)32(29,30)14-5-3-12(4-6-14)15-9-23-17(22)16(24-15)18-25-26-19(31-18)20(28)27-8-7-13(21)10-27;;;;/h3-6,9,11,13H,7-8,10,21H2,1-2H3,(H2,22,23);4*1H
• InChIKey: AQTHXASIVWYMEK-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 171.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.58
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen?

The IUPAC name of [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen (CID 157200636) is [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen.

What is the SMILES notation for [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen?

The canonical SMILES for [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(C(=O)N4CCC(N)C4)o3)n2)cc1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen?

The InChIKey is AQTHXASIVWYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O4S.4H2/c1-11(2)32(29,30)14-5-3-12(4-6-14)15-9-23-17(22)16(24-15)18-25-26-19(31-18)20(28)27-8-7-13(21)10-27;;;;/h3-6,9,11,13H,7-8,10,21H2,1-2H3,(H2,22,23);4*1H.

What are the key properties of [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen?

[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen has a molecular weight of 465.58 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen is sourced from PubChem (CID 157200636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).