2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C21H24FN3O4 — CID 54711130

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2)N1CCOCC1
InChIInChI=1S/C21H24FN3O4/c1-14(23-8-10-29-11-9-23)17-13-24-6-7-25(12-15-2-4-16(22)5-3-15)21(28)18(24)20(27)19(17)26/h2-5,13-14,27H,6-12H2,1H3
InChIKeyJOUNZGRORGNQKF-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.74
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54711130) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54711130
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2)N1CCOCC1
InChIInChI=1S/C21H24FN3O4/c1-14(23-8-10-29-11-9-23)17-13-24-6-7-25(12-15-2-4-16(22)5-3-15)21(28)18(24)20(27)19(17)26/h2-5,13-14,27H,6-12H2,1H3
InChIKeyJOUNZGRORGNQKF-UHFFFAOYSA-N
XLogP1.74
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54711130) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is CC(c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2)N1CCOCC1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is JOUNZGRORGNQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4/c1-14(23-8-10-29-11-9-23)17-13-24-6-7-25(12-15-2-4-16(22)5-3-15)21(28)18(24)20(27)19(17)26/h2-5,13-14,27H,6-12H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 401.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54711130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).