2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine

C24H23FN4O2S — CID 69350796

About 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine

2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine (PubChem CID 69350796) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine.

Molecular Properties

• Compound Name: 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine
• PubChem CID: 69350796
• Molecular Formula: C24H23FN4O2S
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.15
• IUPAC Name: 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine
• SMILES: Cc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc(F)c(-c3ccc(S(C)(=O)=O)cn3)c2)n1
• InChI: InChI=1S/C24H23FN4O2S/c1-14(2)24-28-22(23(29-24)21-7-5-6-15(3)27-21)16-8-10-19(25)18(12-16)20-11-9-17(13-26-20)32(4,30)31/h5-14H,1-4H3,(H,28,29)
• InChIKey: USYZRSRMNCZBDY-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine?

The IUPAC name of 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine (CID 69350796) is 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine.

What is the SMILES notation for 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine?

The canonical SMILES for 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine is Cc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc(F)c(-c3ccc(S(C)(=O)=O)cn3)c2)n1.

What is the InChIKey of 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine?

The InChIKey is USYZRSRMNCZBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-14(2)24-28-22(23(29-24)21-7-5-6-15(3)27-21)16-8-10-19(25)18(12-16)20-11-9-17(13-26-20)32(4,30)31/h5-14H,1-4H3,(H,28,29).

What are the key properties of 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine?

2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine has a molecular weight of 450.54 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 69350796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).