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

C30H30ClN3O5 — CID 46274462

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

N-[(4-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274462) has the molecular formula C30H30ClN3O5 and a molecular weight of 548.04 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 46274462
• Molecular Formula: C30H30ClN3O5
• Molecular Weight: 548.04 g/mol
• Exact Mass: 547.19
• IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: COc1ccc(CCN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NCc2ccc(Cl)cc2)cc1OC
• InChI: InChI=1S/C30H30ClN3O5/c1-30(29(36)32-18-21-6-9-22(31)10-7-21)19-33-23(25-5-4-16-39-25)11-12-24(33)28(35)34(30)15-14-20-8-13-26(37-2)27(17-20)38-3/h4-13,16-17H,14-15,18-19H2,1-3H3,(H,32,36)
• InChIKey: RKIIZNAVEOIFIH-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 85.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.04
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274462) is N-[(4-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

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

The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is COc1ccc(CCN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NCc2ccc(Cl)cc2)cc1OC.

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

The InChIKey is RKIIZNAVEOIFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN3O5/c1-30(29(36)32-18-21-6-9-22(31)10-7-21)19-33-23(25-5-4-16-39-25)11-12-24(33)28(35)34(30)15-14-20-8-13-26(37-2)27(17-20)38-3/h4-13,16-17H,14-15,18-19H2,1-3H3,(H,32,36).

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

N-[(4-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 548.04 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).