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

C17H12FN3O4 — CID 10569194

IUPAC2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESO=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(F)cc1)C(=O)c1cccn12
InChIInChI=1S/C17H12FN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)
InChIKeyYZVYAIVOMKMPQY-UHFFFAOYSA-N
MW341.30 g/mol
LogP0.55
Rot. Bonds2

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

2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (PubChem CID 10569194) has the molecular formula C17H12FN3O4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.

Molecular Properties

Compound Name2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
PubChem CID10569194
Molecular FormulaC17H12FN3O4
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC Name2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESO=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(F)cc1)C(=O)c1cccn12
InChIInChI=1S/C17H12FN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)
InChIKeyYZVYAIVOMKMPQY-UHFFFAOYSA-N
XLogP0.55
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Ranirestat
CID 153948
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
(3Z)-5-fluoro-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indol-2-one
CID 5331099
7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 24849157
3-{7-Fluoro-4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}-N-(2-phenylethyl)propanamide
CID 16017974
N-(2,5-difluorophenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502163
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione
CID 72829
N-[(1s)-2-Amino-1-Phenylethyl]-2-[(4s)-7-(2-Fluoro-4-Pyridinyl)-1-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]pyrazin-4-Yl]acetamide
CID 72696912
N-[2-[(4-fluorobenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2986306
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2986895
N-[2-(4-fluorophenyl)-2-(morpholin-4-yl)ethyl]-1-methyl-1H-pyrrole-2-carboxamide
CID 24819924

Frequently Asked Questions

What is the IUPAC name of 2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The IUPAC name of 2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (CID 10569194) is 2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.
What is the SMILES notation for 2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The canonical SMILES for 2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is O=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(F)cc1)C(=O)c1cccn12.
What is the InChIKey of 2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The InChIKey is YZVYAIVOMKMPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24).
What are the key properties of 2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone has a molecular weight of 341.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(4-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is sourced from PubChem (CID 10569194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).