2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C27H37N3O2 — CID 20907926

About 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 20907926) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 20907926
• Molecular Formula: C27H37N3O2
• Molecular Weight: 435.61 g/mol
• Exact Mass: 435.29
• IUPAC Name: 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: CCCCN1C(=O)c2ccc(-c3ccccc3)n2CC1(C)C(=O)NC1CCCCCCC1
• InChI: InChI=1S/C27H37N3O2/c1-3-4-19-30-25(31)24-18-17-23(21-13-9-8-10-14-21)29(24)20-27(30,2)26(32)28-22-15-11-6-5-7-12-16-22/h8-10,13-14,17-18,22H,3-7,11-12,15-16,19-20H2,1-2H3,(H,28,32)
• InChIKey: ALKXJDFISNOGIP-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.61
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The IUPAC name of 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 20907926) is 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

What is the SMILES notation for 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The canonical SMILES for 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CCCCN1C(=O)c2ccc(-c3ccccc3)n2CC1(C)C(=O)NC1CCCCCCC1.

What is the InChIKey of 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The InChIKey is ALKXJDFISNOGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-3-4-19-30-25(31)24-18-17-23(21-13-9-8-10-14-21)29(24)20-27(30,2)26(32)28-22-15-11-6-5-7-12-16-22/h8-10,13-14,17-18,22H,3-7,11-12,15-16,19-20H2,1-2H3,(H,28,32).

What are the key properties of 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 435.61 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 20907926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).