2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone

C19H17N3O6 — CID 10691361

IUPAC2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESCOc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c(OC)c1
InChIInChI=1S/C19H17N3O6/c1-27-12-6-5-11(14(8-12)28-2)10-21-16(24)13-4-3-7-22(13)19(18(21)26)9-15(23)20-17(19)25/h3-8H,9-10H2,1-2H3,(H,20,23,25)
InChIKeyZIXFWQDAUXZZQK-UHFFFAOYSA-N
MW383.36 g/mol
LogP0.43
Rot. Bonds4

About 2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone

2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (PubChem CID 10691361) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is 2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.

Molecular Properties

Compound Name2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
PubChem CID10691361
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC Name2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESCOc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c(OC)c1
InChIInChI=1S/C19H17N3O6/c1-27-12-6-5-11(14(8-12)28-2)10-21-16(24)13-4-3-7-22(13)19(18(21)26)9-15(23)20-17(19)25/h3-8H,9-10H2,1-2H3,(H,20,23,25)
InChIKeyZIXFWQDAUXZZQK-UHFFFAOYSA-N
XLogP0.43
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N1-(2,4-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11739408
[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 3233235
1-(2,4-dimethoxybenzyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)prolinamide
CID 3236022
2'-[(4-Methoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10594207
2'-[(3,4-Dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10643673
3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 16018010
N-[(2,4-Dimethoxyphenyl)methyl]-1-methyl-4-oxo-1H,4H,5H-pyrrolo[3,2-C]quinoline-2-carboxamide
CID 16020195
2-(2-benzoyl-1H-pyrrol-1-yl)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 16193521
N-[(2,4-dimethoxyphenyl)methyl]-3-pyrrol-1-ylpyridine-4-carboxamide
CID 57527995
N-[(2,4-Dimethoxyphenyl)methyl]-1,5-dimethyl-4-oxo-1H,4H,5H-pyrrolo[3,2-C]quinoline-2-carboxamide
CID 16008904
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)acetamide
CID 16018282
2-(2,4-dimethoxybenzyl)-3-oxo-N-(pyridin-3-ylmethyl)isoindoline-1-carboxamide
CID 3236139

Frequently Asked Questions

What is the IUPAC name of 2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The IUPAC name of 2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (CID 10691361) is 2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.
What is the SMILES notation for 2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The canonical SMILES for 2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c(OC)c1.
What is the InChIKey of 2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The InChIKey is ZIXFWQDAUXZZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-27-12-6-5-11(14(8-12)28-2)10-21-16(24)13-4-3-7-22(13)19(18(21)26)9-15(23)20-17(19)25/h3-8H,9-10H2,1-2H3,(H,20,23,25).
What are the key properties of 2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone has a molecular weight of 383.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(2,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is sourced from PubChem (CID 10691361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).