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

C22H24FN3O4 — CID 67332354

IUPAC2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-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(C1CCCCC1)CC2
InChIInChI=1S/C22H24FN3O4/c23-15-8-6-14(7-9-15)12-24-21(29)17-13-25-10-11-26(16-4-2-1-3-5-16)22(30)18(25)20(28)19(17)27/h6-9,13,16,28H,1-5,10-12H2,(H,24,29)
InChIKeyZVQFIOWINQBDIN-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.41
Rot. Bonds4

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

2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 67332354) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID67332354
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC Name2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-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(C1CCCCC1)CC2
InChIInChI=1S/C22H24FN3O4/c23-15-8-6-14(7-9-15)12-24-21(29)17-13-25-10-11-26(16-4-2-1-3-5-16)22(30)18(25)20(28)19(17)27/h6-9,13,16,28H,1-5,10-12H2,(H,24,29)
InChIKeyZVQFIOWINQBDIN-UHFFFAOYSA-N
XLogP2.41
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 67332354) is 2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-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(C1CCCCC1)CC2.
What is the InChIKey of 2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is ZVQFIOWINQBDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c23-15-8-6-14(7-9-15)12-24-21(29)17-13-25-10-11-26(16-4-2-1-3-5-16)22(30)18(25)20(28)19(17)27/h6-9,13,16,28H,1-5,10-12H2,(H,24,29).
What are the key properties of 2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 67332354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).