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

C22H20N4O3 — CID 144794141

IUPACethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCCOC(=O)c1cn2ccnc2c(-c2cccc(C#CC3CCN(C)C3=O)c2)n1
InChIInChI=1S/C22H20N4O3/c1-3-29-22(28)18-14-26-12-10-23-20(26)19(24-18)17-6-4-5-15(13-17)7-8-16-9-11-25(2)21(16)27/h4-6,10,12-14,16H,3,9,11H2,1-2H3
InChIKeyLUELZPAECKFKEL-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.40
Rot. Bonds3

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

ethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate (PubChem CID 144794141) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is ethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate
PubChem CID144794141
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Nameethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCCOC(=O)c1cn2ccnc2c(-c2cccc(C#CC3CCN(C)C3=O)c2)n1
InChIInChI=1S/C22H20N4O3/c1-3-29-22(28)18-14-26-12-10-23-20(26)19(24-18)17-6-4-5-15(13-17)7-8-16-9-11-25(2)21(16)27/h4-6,10,12-14,16H,3,9,11H2,1-2H3
InChIKeyLUELZPAECKFKEL-UHFFFAOYSA-N
XLogP2.40
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 8-[3-[2-[(3R)-3-methoxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate
CID 130270146
5-amino-6-(2-methoxyethoxy)-2-[3-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide
CID 144793656
5-methanimidoyl-4-(methylamino)-6-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide
CID 144793679
methyl 8-[3-[(3R)-5-(dimethylamino)-3-formyl-3-hydroxypent-1-ynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate
CID 130269996
5-amino-2-[3-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxan-4-yloxy)pyrimidine-4-carboxamide
CID 144793735
2-[3-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-4-carboxamide
CID 144793893
2-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidine-4-carboxamide
CID 123141770
2-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-morpholin-4-ylpyrimidine-4-carboxamide
CID 144793961
5-[3-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 144793960
1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide
CID 144793273
CID 70300240
CID 70300240
(3R)-3-[2-[3-(4-amino-2-methylpyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-1-methylpiperidin-2-one
CID 166765988

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of ethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate (CID 144794141) is ethyl 8-[3-[2-(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-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for ethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate is CCOC(=O)c1cn2ccnc2c(-c2cccc(C#CC3CCN(C)C3=O)c2)n1.
What is the InChIKey of ethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is LUELZPAECKFKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-3-29-22(28)18-14-26-12-10-23-20(26)19(24-18)17-6-4-5-15(13-17)7-8-16-9-11-25(2)21(16)27/h4-6,10,12-14,16H,3,9,11H2,1-2H3.
What are the key properties of ethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate?
ethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 388.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 144794141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).