1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen

C24H27F2N5O3S — CID 158106761

About 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen

1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen (PubChem CID 158106761) has the molecular formula C24H27F2N5O3S and a molecular weight of 503.58 g/mol. Its IUPAC name is 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
• PubChem CID: 158106761
• Molecular Formula: C24H27F2N5O3S
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.18
• IUPAC Name: 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)c(F)c4)cnc3C)o2)c(F)c1.[H][H].[H][H]
• InChI: InChI=1S/C24H23F2N5O3S.2H2/c1-13(2)35(32,33)21-8-6-16(10-19(21)26)20-12-28-14(3)22(29-20)24-31-30-23(34-24)17-7-5-15(11-27-4)9-18(17)25;;/h5-10,12-13,27H,11H2,1-4H3;2*1H
• InChIKey: FPXUUJVKEPOUDP-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 110.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen?

The IUPAC name of 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen (CID 158106761) is 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen.

What is the SMILES notation for 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen?

The canonical SMILES for 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)c(F)c4)cnc3C)o2)c(F)c1.[H][H].[H][H].

What is the InChIKey of 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen?

The InChIKey is FPXUUJVKEPOUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O3S.2H2/c1-13(2)35(32,33)21-8-6-16(10-19(21)26)20-12-28-14(3)22(29-20)24-31-30-23(34-24)17-7-5-15(11-27-4)9-18(17)25;;/h5-10,12-13,27H,11H2,1-4H3;2*1H.

What are the key properties of 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen?

1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen has a molecular weight of 503.58 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen is sourced from PubChem (CID 158106761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).