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

C22H25FN4O5 — CID 68676844

IUPACN-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(CCN1CCOCC1)CC2
InChIInChI=1S/C22H25FN4O5/c23-16-3-1-15(2-4-16)13-24-21(30)17-14-27-8-7-26(6-5-25-9-11-32-12-10-25)22(31)18(27)20(29)19(17)28/h1-4,14,29H,5-13H2,(H,24,30)
InChIKeyTWQMEWJSKZROCG-UHFFFAOYSA-N
MW444.46 g/mol
LogP0.41
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 68676844) has the molecular formula C22H25FN4O5 and a molecular weight of 444.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID68676844
Molecular FormulaC22H25FN4O5
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC NameN-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(CCN1CCOCC1)CC2
InChIInChI=1S/C22H25FN4O5/c23-16-3-1-15(2-4-16)13-24-21(30)17-14-27-8-7-26(6-5-25-9-11-32-12-10-25)22(31)18(27)20(29)19(17)28/h1-4,14,29H,5-13H2,(H,24,30)
InChIKeyTWQMEWJSKZROCG-UHFFFAOYSA-N
XLogP0.41
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 68676844) is N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(CCN1CCOCC1)CC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is TWQMEWJSKZROCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O5/c23-16-3-1-15(2-4-16)13-24-21(30)17-14-27-8-7-26(6-5-25-9-11-32-12-10-25)22(31)18(27)20(29)19(17)28/h1-4,14,29H,5-13H2,(H,24,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholin-4-ylethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 68676844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).