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

C23H25N3O3 — CID 46274448

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

N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274448) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 46274448
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.19
• IUPAC Name: N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: CCCN1C(=O)c2ccc(-c3ccco3)n2CC1(C)C(=O)NCc1ccccc1
• InChI: InChI=1S/C23H25N3O3/c1-3-13-26-21(27)19-12-11-18(20-10-7-14-29-20)25(19)16-23(26,2)22(28)24-15-17-8-5-4-6-9-17/h4-12,14H,3,13,15-16H2,1-2H3,(H,24,28)
• InChIKey: VPTCCDHLHFKPHL-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274448) is N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

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

The canonical SMILES for N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CCCN1C(=O)c2ccc(-c3ccco3)n2CC1(C)C(=O)NCc1ccccc1.

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

The InChIKey is VPTCCDHLHFKPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-13-26-21(27)19-12-11-18(20-10-7-14-29-20)25(19)16-23(26,2)22(28)24-15-17-8-5-4-6-9-17/h4-12,14H,3,13,15-16H2,1-2H3,(H,24,28).

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

N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).