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

C26H24ClN3O3S — CID 92741607

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

(3S)-N-[(4-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741607) has the molecular formula C26H24ClN3O3S and a molecular weight of 494.02 g/mol. Its IUPAC name is (3S)-N-[(4-chlorophenyl)methyl]-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: (3S)-N-[(4-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 92741607
• Molecular Formula: C26H24ClN3O3S
• Molecular Weight: 494.02 g/mol
• Exact Mass: 493.12
• IUPAC Name: (3S)-N-[(4-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: C[C@@]1(C(=O)NCc2ccc(Cl)cc2)Cn2c(ccc2-c2ccco2)C(=O)N1CCc1cccs1
• InChI: InChI=1S/C26H24ClN3O3S/c1-26(25(32)28-16-18-6-8-19(27)9-7-18)17-29-21(23-5-2-14-33-23)10-11-22(29)24(31)30(26)13-12-20-4-3-15-34-20/h2-11,14-15H,12-13,16-17H2,1H3,(H,28,32)/t26-/m0/s1
• InChIKey: IADWNQSZJHNDHU-SANMLTNESA-N
• XLogP: 5.24
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.02
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-chlorophenyl)methyl]-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 (3S)-N-[(4-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741607) is (3S)-N-[(4-chlorophenyl)methyl]-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 (3S)-N-[(4-chlorophenyl)methyl]-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 (3S)-N-[(4-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is C[C@@]1(C(=O)NCc2ccc(Cl)cc2)Cn2c(ccc2-c2ccco2)C(=O)N1CCc1cccs1.

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

The InChIKey is IADWNQSZJHNDHU-SANMLTNESA-N. The full InChI is InChI=1S/C26H24ClN3O3S/c1-26(25(32)28-16-18-6-8-19(27)9-7-18)17-29-21(23-5-2-14-33-23)10-11-22(29)24(31)30(26)13-12-20-4-3-15-34-20/h2-11,14-15H,12-13,16-17H2,1H3,(H,28,32)/t26-/m0/s1.

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

(3S)-N-[(4-chlorophenyl)methyl]-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 494.02 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(4-chlorophenyl)methyl]-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 92741607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).