1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea

C19H24N4O4 — CID 91920384

IUPAC1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H24N4O4/c1-26-11-10-23-15(13-22-9-3-4-17(22)18(23)24)12-20-19(25)21-14-5-7-16(27-2)8-6-14/h3-9,15H,10-13H2,1-2H3,(H2,20,21,25)
InChIKeyGKEOWQMJFSIUQL-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.79
Rot. Bonds7

About 1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea

1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea (PubChem CID 91920384) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea
PubChem CID91920384
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H24N4O4/c1-26-11-10-23-15(13-22-9-3-4-17(22)18(23)24)12-20-19(25)21-14-5-7-16(27-2)8-6-14/h3-9,15H,10-13H2,1-2H3,(H2,20,21,25)
InChIKeyGKEOWQMJFSIUQL-UHFFFAOYSA-N
XLogP1.79
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea (CID 91920384) is 1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea is COCCN1C(=O)c2cccn2CC1CNC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea?
The InChIKey is GKEOWQMJFSIUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-26-11-10-23-15(13-22-9-3-4-17(22)18(23)24)12-20-19(25)21-14-5-7-16(27-2)8-6-14/h3-9,15H,10-13H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea?
1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea has a molecular weight of 372.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 91920384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).