5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide

C20H23N7O4S — CID 59471649

About 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide

5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 59471649) has the molecular formula C20H23N7O4S and a molecular weight of 457.52 g/mol. Its IUPAC name is 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 59471649
• Molecular Formula: C20H23N7O4S
• Molecular Weight: 457.52 g/mol
• Exact Mass: 457.15
• IUPAC Name: 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(C(=O)NC4CCNC4)o3)n2)cc1
• InChI: InChI=1S/C20H23N7O4S/c1-11(2)32(29,30)14-5-3-12(4-6-14)15-10-23-17(21)16(25-15)19-26-27-20(31-19)18(28)24-13-7-8-22-9-13/h3-6,10-11,13,22H,7-9H2,1-2H3,(H2,21,23)(H,24,28)
• InChIKey: ACUZVTVRYCQHBP-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 165.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.52
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	3
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]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide (CID 59471649) is 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(C(=O)NC4CCNC4)o3)n2)cc1.

What is the InChIKey of 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?

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

What are the key properties of 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?

5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 457.52 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 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]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 59471649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).