5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C23H23FN6O3S — CID 59472171

About 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 59472171) has the molecular formula C23H23FN6O3S and a molecular weight of 482.54 g/mol. Its IUPAC name is 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
• PubChem CID: 59472171
• Molecular Formula: C23H23FN6O3S
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.15
• IUPAC Name: 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)c(F)c4)cnc3N)o2)cc1
• InChI: InChI=1S/C23H23FN6O3S/c1-13(2)34(31,32)19-9-8-16(10-17(19)24)18-12-27-21(25)20(28-18)23-30-29-22(33-23)15-6-4-14(5-7-15)11-26-3/h4-10,12-13,26H,11H2,1-3H3,(H2,25,27)
• InChIKey: ZISYNLOBVLKHPT-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 136.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The IUPAC name of 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 59472171) is 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

What is the SMILES notation for 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The canonical SMILES for 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)c(F)c4)cnc3N)o2)cc1.

What is the InChIKey of 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The InChIKey is ZISYNLOBVLKHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3S/c1-13(2)34(31,32)19-9-8-16(10-17(19)24)18-12-27-21(25)20(28-18)23-30-29-22(33-23)15-6-4-14(5-7-15)11-26-3/h4-10,12-13,26H,11H2,1-3H3,(H2,25,27).

What are the key properties of 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 482.54 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 59472171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).