6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid

C19H23FN4O2 — CID 156875118

About 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid

6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid (PubChem CID 156875118) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid
• PubChem CID: 156875118
• Molecular Formula: C19H23FN4O2
• Molecular Weight: 358.42 g/mol
• Exact Mass: 358.18
• IUPAC Name: 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid
• SMILES: C[C@H](c1ccc(F)cc1)c1nc(C(=O)O)cnc1NCCN1CCCC1
• InChI: InChI=1S/C19H23FN4O2/c1-13(14-4-6-15(20)7-5-14)17-18(22-12-16(23-17)19(25)26)21-8-11-24-9-2-3-10-24/h4-7,12-13H,2-3,8-11H2,1H3,(H,21,22)(H,25,26)/t13-/m1/s1
• InChIKey: FMKRTKAEKOKOCX-CYBMUJFWSA-N
• XLogP: 2.97
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.42
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid?

The IUPAC name of 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid (CID 156875118) is 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid.

What is the SMILES notation for 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid?

The canonical SMILES for 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid is C[C@H](c1ccc(F)cc1)c1nc(C(=O)O)cnc1NCCN1CCCC1.

What is the InChIKey of 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid?

The InChIKey is FMKRTKAEKOKOCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-13(14-4-6-15(20)7-5-14)17-18(22-12-16(23-17)19(25)26)21-8-11-24-9-2-3-10-24/h4-7,12-13H,2-3,8-11H2,1H3,(H,21,22)(H,25,26)/t13-/m1/s1.

What are the key properties of 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid?

6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid has a molecular weight of 358.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 156875118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).