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

C22H27FN4S — CID 175820689

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

5-[2-[(3R)-3-[2-(5-fluorothiophen-2-yl)ethyl]-3-(1H-imidazol-2-yl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine (PubChem CID 175820689) has the molecular formula C22H27FN4S and a molecular weight of 398.55 g/mol. Its IUPAC name is 5-[2-[(3R)-3-[2-(5-fluorothiophen-2-yl)ethyl]-3-(1H-imidazol-2-yl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine.

Molecular Properties

• Compound Name: 5-[2-[(3R)-3-[2-(5-fluorothiophen-2-yl)ethyl]-3-(1H-imidazol-2-yl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
• PubChem CID: 175820689
• Molecular Formula: C22H27FN4S
• Molecular Weight: 398.55 g/mol
• Exact Mass: 398.19
• IUPAC Name: 5-[2-[(3R)-3-[2-(5-fluorothiophen-2-yl)ethyl]-3-(1H-imidazol-2-yl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
• SMILES: Cc1ccc(C(C)(C)N2CC[C@@](CCc3ccc(F)s3)(c3ncc[nH]3)C2)cn1
• InChI: InChI=1S/C22H27FN4S/c1-16-4-5-17(14-26-16)21(2,3)27-13-10-22(15-27,20-24-11-12-25-20)9-8-18-6-7-19(23)28-18/h4-7,11-12,14H,8-10,13,15H2,1-3H3,(H,24,25)/t22-/m1/s1
• InChIKey: HGTREOJNXSZQCA-JOCHJYFZSA-N
• XLogP: 4.83
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.55
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[2-[(3R)-3-[2-(5-fluorothiophen-2-yl)ethyl]-3-(1H-imidazol-2-yl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine (CID 175820689) is 5-[2-[(3R)-3-[2-(5-fluorothiophen-2-yl)ethyl]-3-(1H-imidazol-2-yl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine.

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

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

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

The InChIKey is HGTREOJNXSZQCA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27FN4S/c1-16-4-5-17(14-26-16)21(2,3)27-13-10-22(15-27,20-24-11-12-25-20)9-8-18-6-7-19(23)28-18/h4-7,11-12,14H,8-10,13,15H2,1-3H3,(H,24,25)/t22-/m1/s1.

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

5-[2-[(3R)-3-[2-(5-fluorothiophen-2-yl)ethyl]-3-(1H-imidazol-2-yl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine has a molecular weight of 398.55 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(3R)-3-[2-(5-fluorothiophen-2-yl)ethyl]-3-(1H-imidazol-2-yl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine is sourced from PubChem (CID 175820689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).