5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one

C27H26FN3O5S — CID 138698307

About 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one

5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one (PubChem CID 138698307) has the molecular formula C27H26FN3O5S and a molecular weight of 523.59 g/mol. Its IUPAC name is 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one.

Molecular Properties

• Compound Name: 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one
• PubChem CID: 138698307
• Molecular Formula: C27H26FN3O5S
• Molecular Weight: 523.59 g/mol
• Exact Mass: 523.16
• IUPAC Name: 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one
• SMILES: CCCc1nc(O)c(S(=O)(=O)c2ccc(-c3cncc(F)c3)cc2)c(=O)n1[C@@H](COC)c1ccccc1
• InChI: InChI=1S/C27H26FN3O5S/c1-3-7-24-30-26(32)25(27(33)31(24)23(17-36-2)19-8-5-4-6-9-19)37(34,35)22-12-10-18(11-13-22)20-14-21(28)16-29-15-20/h4-6,8-16,23,32H,3,7,17H2,1-2H3/t23-/m0/s1
• InChIKey: SXFASEKSCGZEBN-QHCPKHFHSA-N
• XLogP: 4.17
• TPSA: 111.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.59
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one?

The IUPAC name of 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one (CID 138698307) is 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one.

What is the SMILES notation for 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one?

The canonical SMILES for 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one is CCCc1nc(O)c(S(=O)(=O)c2ccc(-c3cncc(F)c3)cc2)c(=O)n1[C@@H](COC)c1ccccc1.

What is the InChIKey of 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one?

The InChIKey is SXFASEKSCGZEBN-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H26FN3O5S/c1-3-7-24-30-26(32)25(27(33)31(24)23(17-36-2)19-8-5-4-6-9-19)37(34,35)22-12-10-18(11-13-22)20-14-21(28)16-29-15-20/h4-6,8-16,23,32H,3,7,17H2,1-2H3/t23-/m0/s1.

What are the key properties of 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one?

5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one has a molecular weight of 523.59 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-2-propylpyrimidin-4-one is sourced from PubChem (CID 138698307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).