ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate

C23H22N4O4 — CID 130270146

About ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate

ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate (PubChem CID 130270146) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate
• PubChem CID: 130270146
• Molecular Formula: C23H22N4O4
• Molecular Weight: 418.45 g/mol
• Exact Mass: 418.16
• IUPAC Name: ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate
• SMILES: CCOC(=O)c1cn2ccnc2c(-c2cccc(C#C[C@]3(OC)CCN(C)C3=O)c2)n1
• InChI: InChI=1S/C23H22N4O4/c1-4-31-21(28)18-15-27-13-11-24-20(27)19(25-18)17-7-5-6-16(14-17)8-9-23(30-3)10-12-26(2)22(23)29/h5-7,11,13-15H,4,10,12H2,1-3H3/t23-/m0/s1
• InChIKey: AOLRYKMWYNKABD-QHCPKHFHSA-N
• XLogP: 2.17
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.45
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate?

The IUPAC name of ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate (CID 130270146) is ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate.

What is the SMILES notation for ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate?

The canonical SMILES for ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate is CCOC(=O)c1cn2ccnc2c(-c2cccc(C#C[C@]3(OC)CCN(C)C3=O)c2)n1.

What is the InChIKey of ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate?

The InChIKey is AOLRYKMWYNKABD-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-4-31-21(28)18-15-27-13-11-24-20(27)19(25-18)17-7-5-6-16(14-17)8-9-23(30-3)10-12-26(2)22(23)29/h5-7,11,13-15H,4,10,12H2,1-3H3/t23-/m0/s1.

What are the key properties of ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate?

ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 418.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 130270146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).