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

C21H24FN3O4 — CID 54705247

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2C(CCN2CCOCC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O4/c22-16-3-1-15(2-4-16)13-24-14-17(5-7-23-9-11-29-12-10-23)25-8-6-18(26)20(27)19(25)21(24)28/h1-4,6,8,17,27H,5,7,9-14H2
InChIKeyPSJNVFWCRZVFBB-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.61
Rot. Bonds5

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

2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54705247) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54705247
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2C(CCN2CCOCC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O4/c22-16-3-1-15(2-4-16)13-24-14-17(5-7-23-9-11-29-12-10-23)25-8-6-18(26)20(27)19(25)21(24)28/h1-4,6,8,17,27H,5,7,9-14H2
InChIKeyPSJNVFWCRZVFBB-UHFFFAOYSA-N
XLogP1.61
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.61
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-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54705247) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-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-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is O=C1c2c(O)c(=O)ccn2C(CCN2CCOCC2)CN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is PSJNVFWCRZVFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4/c22-16-3-1-15(2-4-16)13-24-14-17(5-7-23-9-11-29-12-10-23)25-8-6-18(26)20(27)19(25)21(24)28/h1-4,6,8,17,27H,5,7,9-14H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 401.44 g/mol, XLogP of 1.61, 5 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-4-(2-morpholin-4-ylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54705247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).