ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate

C24H24ClN3O5 — CID 92741540

About ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate

ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate (PubChem CID 92741540) has the molecular formula C24H24ClN3O5 and a molecular weight of 469.93 g/mol. Its IUPAC name is ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate
• PubChem CID: 92741540
• Molecular Formula: C24H24ClN3O5
• Molecular Weight: 469.93 g/mol
• Exact Mass: 469.14
• IUPAC Name: ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate
• SMILES: CCOC(=O)CNC(=O)[C@]1(C)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccccc1Cl
• InChI: InChI=1S/C24H24ClN3O5/c1-3-32-21(29)13-26-23(31)24(2)15-27-18(20-9-6-12-33-20)10-11-19(27)22(30)28(24)14-16-7-4-5-8-17(16)25/h4-12H,3,13-15H2,1-2H3,(H,26,31)/t24-/m0/s1
• InChIKey: VDGBQWCTJDQPPI-DEOSSOPVSA-N
• XLogP: 3.50
• TPSA: 93.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.93
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate (CID 92741540) is ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate.

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

The canonical SMILES for ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)[C@]1(C)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccccc1Cl.

What is the InChIKey of ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate?

The InChIKey is VDGBQWCTJDQPPI-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24ClN3O5/c1-3-32-21(29)13-26-23(31)24(2)15-27-18(20-9-6-12-33-20)10-11-19(27)22(30)28(24)14-16-7-4-5-8-17(16)25/h4-12H,3,13-15H2,1-2H3,(H,26,31)/t24-/m0/s1.

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

ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate has a molecular weight of 469.93 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate is sourced from PubChem (CID 92741540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).