4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide

C18H20FN3O3 — CID 91920413

IUPAC4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3/c1-25-10-9-22-15(12-21-8-2-3-16(21)18(22)24)11-20-17(23)13-4-6-14(19)7-5-13/h2-8,15H,9-12H2,1H3,(H,20,23)
InChIKeyTWRNKZLMJPFVCL-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.53
Rot. Bonds6

About 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide

4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide (PubChem CID 91920413) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide
PubChem CID91920413
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3/c1-25-10-9-22-15(12-21-8-2-3-16(21)18(22)24)11-20-17(23)13-4-6-14(19)7-5-13/h2-8,15H,9-12H2,1H3,(H,20,23)
InChIKeyTWRNKZLMJPFVCL-UHFFFAOYSA-N
XLogP1.53
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide
CID 91920410
2-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide
CID 91909710
2-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide
CID 91920406
N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide
CID 91909713
3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide
CID 99758090
1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide
CID 91920391
4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide
CID 91920395
N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 91909626
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 124842945
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide (CID 91920413) is 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide is COCCN1C(=O)c2cccn2CC1CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide?
The InChIKey is TWRNKZLMJPFVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-25-10-9-22-15(12-21-8-2-3-16(21)18(22)24)11-20-17(23)13-4-6-14(19)7-5-13/h2-8,15H,9-12H2,1H3,(H,20,23).
What are the key properties of 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide?
4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide has a molecular weight of 345.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide is sourced from PubChem (CID 91920413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).