2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C21H24FN3O5 — CID 54677959

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)cc(OCCN3CCOCC3)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O5/c22-16-3-1-15(2-4-16)14-24-5-6-25-18(13-17(26)20(27)19(25)21(24)28)30-12-9-23-7-10-29-11-8-23/h1-4,13,27H,5-12,14H2
InChIKeyAVSHJWFCORFXQH-UHFFFAOYSA-N
MW417.44 g/mol
LogP1.06
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54677959) has the molecular formula C21H24FN3O5 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54677959
Molecular FormulaC21H24FN3O5
Molecular Weight417.44 g/mol
Exact Mass417.17
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)cc(OCCN3CCOCC3)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O5/c22-16-3-1-15(2-4-16)14-24-5-6-25-18(13-17(26)20(27)19(25)21(24)28)30-12-9-23-7-10-29-11-8-23/h1-4,13,27H,5-12,14H2
InChIKeyAVSHJWFCORFXQH-UHFFFAOYSA-N
XLogP1.06
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54677959) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is O=C1c2c(O)c(=O)cc(OCCN3CCOCC3)n2CCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is AVSHJWFCORFXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O5/c22-16-3-1-15(2-4-16)14-24-5-6-25-18(13-17(26)20(27)19(25)21(24)28)30-12-9-23-7-10-29-11-8-23/h1-4,13,27H,5-12,14H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 417.44 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-morpholin-4-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54677959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).