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

C18H22FN3O4S — CID 91920391

IUPAC1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide
SMILESCOCCN1C(=O)c2cccn2CC1CNS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C18H22FN3O4S/c1-26-10-9-22-15(12-21-8-4-7-17(21)18(22)23)11-20-27(24,25)13-14-5-2-3-6-16(14)19/h2-8,15,20H,9-13H2,1H3
InChIKeyCWSWIWSLSCIDOK-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.22
Rot. Bonds8

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

1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide (PubChem CID 91920391) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide
PubChem CID91920391
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC Name1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide
SMILESCOCCN1C(=O)c2cccn2CC1CNS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C18H22FN3O4S/c1-26-10-9-22-15(12-21-8-4-7-17(21)18(22)23)11-20-27(24,25)13-14-5-2-3-6-16(14)19/h2-8,15,20H,9-13H2,1H3
InChIKeyCWSWIWSLSCIDOK-UHFFFAOYSA-N
XLogP1.22
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide (CID 91920391) is 1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide is COCCN1C(=O)c2cccn2CC1CNS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide?
The InChIKey is CWSWIWSLSCIDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-26-10-9-22-15(12-21-8-4-7-17(21)18(22)23)11-20-27(24,25)13-14-5-2-3-6-16(14)19/h2-8,15,20H,9-13H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 91920391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).