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

C26H31N3O4 — CID 46274401

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

6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274401) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 46274401
• Molecular Formula: C26H31N3O4
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.23
• IUPAC Name: 6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: COc1cccc(CN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NCCC(C)C)c1
• InChI: InChI=1S/C26H31N3O4/c1-18(2)12-13-27-25(31)26(3)17-28-21(23-9-6-14-33-23)10-11-22(28)24(30)29(26)16-19-7-5-8-20(15-19)32-4/h5-11,14-15,18H,12-13,16-17H2,1-4H3,(H,27,31)
• InChIKey: KWNONXRVFMGQFV-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274401) is 6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

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

The canonical SMILES for 6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is COc1cccc(CN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NCCC(C)C)c1.

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

The InChIKey is KWNONXRVFMGQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18(2)12-13-27-25(31)26(3)17-28-21(23-9-6-14-33-23)10-11-22(28)24(30)29(26)16-19-7-5-8-20(15-19)32-4/h5-11,14-15,18H,12-13,16-17H2,1-4H3,(H,27,31).

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

6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).