5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine

C28H30F2N4S — CID 175884814

About 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine

5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine (PubChem CID 175884814) has the molecular formula C28H30F2N4S and a molecular weight of 492.64 g/mol. Its IUPAC name is 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine.

Molecular Properties

• Compound Name: 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
• PubChem CID: 175884814
• Molecular Formula: C28H30F2N4S
• Molecular Weight: 492.64 g/mol
• Exact Mass: 492.22
• IUPAC Name: 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
• SMILES: Cc1ccc(C(C)(C)N2CC[C@@](CCc3ccc(F)s3)(c3ncc(-c4ccc(F)cc4)[nH]3)C2)cn1
• InChI: InChI=1S/C28H30F2N4S/c1-19-4-7-21(16-31-19)27(2,3)34-15-14-28(18-34,13-12-23-10-11-25(30)35-23)26-32-17-24(33-26)20-5-8-22(29)9-6-20/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,33)/t28-/m1/s1
• InChIKey: RYXJEXXZBCYADV-MUUNZHRXSA-N
• XLogP: 6.63
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.64
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?

The IUPAC name of 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine (CID 175884814) is 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine.

What is the SMILES notation for 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?

The canonical SMILES for 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine is Cc1ccc(C(C)(C)N2CC[C@@](CCc3ccc(F)s3)(c3ncc(-c4ccc(F)cc4)[nH]3)C2)cn1.

What is the InChIKey of 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?

The InChIKey is RYXJEXXZBCYADV-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H30F2N4S/c1-19-4-7-21(16-31-19)27(2,3)34-15-14-28(18-34,13-12-23-10-11-25(30)35-23)26-32-17-24(33-26)20-5-8-22(29)9-6-20/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,33)/t28-/m1/s1.

What are the key properties of 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?

5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine has a molecular weight of 492.64 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine is sourced from PubChem (CID 175884814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).