2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

C22H24N4O2 — CID 90440537

About 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90440537) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
• PubChem CID: 90440537
• Molecular Formula: C22H24N4O2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.19
• IUPAC Name: 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
• SMILES: Cc1ccc([C@H]2CCCN2CCn2cnc(-c3cc(C(=O)O)ccn3)c2)cc1
• InChI: InChI=1S/C22H24N4O2/c1-16-4-6-17(7-5-16)21-3-2-10-26(21)12-11-25-14-20(24-15-25)19-13-18(22(27)28)8-9-23-19/h4-9,13-15,21H,2-3,10-12H2,1H3,(H,27,28)/t21-/m1/s1
• InChIKey: FGYTXYAUUQBXMJ-OAQYLSRUSA-N
• XLogP: 3.79
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90440537) is 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is Cc1ccc([C@H]2CCCN2CCn2cnc(-c3cc(C(=O)O)ccn3)c2)cc1.

What is the InChIKey of 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?

The InChIKey is FGYTXYAUUQBXMJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-4-6-17(7-5-16)21-3-2-10-26(21)12-11-25-14-20(24-15-25)19-13-18(22(27)28)8-9-23-19/h4-9,13-15,21H,2-3,10-12H2,1H3,(H,27,28)/t21-/m1/s1.

What are the key properties of 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?

2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 376.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90440537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).