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

C22H19FN4O4 — CID 54705337

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccccn1)c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C22H19FN4O4/c23-15-6-4-14(5-7-15)12-27-10-9-26-13-17(19(28)20(29)18(26)22(27)31)21(30)25-11-16-3-1-2-8-24-16/h1-8,13,29H,9-12H2,(H,25,30)
InChIKeyIEYGGODGGXCQDF-UHFFFAOYSA-N
MW422.42 g/mol
LogP1.67
Rot. Bonds5

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

2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 54705337) has the molecular formula C22H19FN4O4 and a molecular weight of 422.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID54705337
Molecular FormulaC22H19FN4O4
Molecular Weight422.42 g/mol
Exact Mass422.14
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccccn1)c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C22H19FN4O4/c23-15-6-4-14(5-7-15)12-27-10-9-26-13-17(19(28)20(29)18(26)22(27)31)21(30)25-11-16-3-1-2-8-24-16/h1-8,13,29H,9-12H2,(H,25,30)
InChIKeyIEYGGODGGXCQDF-UHFFFAOYSA-N
XLogP1.67
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 54705337) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1ccccn1)c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is IEYGGODGGXCQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4/c23-15-6-4-14(5-7-15)12-27-10-9-26-13-17(19(28)20(29)18(26)22(27)31)21(30)25-11-16-3-1-2-8-24-16/h1-8,13,29H,9-12H2,(H,25,30).
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 422.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 54705337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).