N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C27H33N3O3S — CID 22554279

About N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 22554279) has the molecular formula C27H33N3O3S and a molecular weight of 479.65 g/mol. Its IUPAC name is N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 22554279
• Molecular Formula: C27H33N3O3S
• Molecular Weight: 479.65 g/mol
• Exact Mass: 479.22
• IUPAC Name: N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: CC1(C(=O)NC2CCCCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1CCc1cccs1
• InChI: InChI=1S/C27H33N3O3S/c1-27(26(32)28-20-9-5-3-2-4-6-10-20)19-29-22(24-12-7-17-33-24)13-14-23(29)25(31)30(27)16-15-21-11-8-18-34-21/h7-8,11-14,17-18,20H,2-6,9-10,15-16,19H2,1H3,(H,28,32)
• InChIKey: IOXJUOCDPZKCOJ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.65
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The IUPAC name of N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 22554279) is N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

What is the SMILES notation for N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The canonical SMILES for N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1(C(=O)NC2CCCCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1CCc1cccs1.

What is the InChIKey of N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The InChIKey is IOXJUOCDPZKCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3S/c1-27(26(32)28-20-9-5-3-2-4-6-10-20)19-29-22(24-12-7-17-33-24)13-14-23(29)25(31)30(27)16-15-21-11-8-18-34-21/h7-8,11-14,17-18,20H,2-6,9-10,15-16,19H2,1H3,(H,28,32).

What are the key properties of N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 479.65 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 22554279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).