sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride

C20H20FN2NaO4 — CID 173127970

IUPACsodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride
SMILESCC(C)(C)C(=O)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(O)c1=O.[H-].[Na+]
InChIInChI=1S/C20H19FN2O4.Na.H/c1-20(2,3)18(26)14-11-22-8-9-23(10-12-4-6-13(21)7-5-12)19(27)15(22)17(25)16(14)24;;/h4-9,11,25H,10H2,1-3H3;;/q;+1;-1
InChIKeyHEUHJMQUUIRZGU-UHFFFAOYSA-N
MW394.38 g/mol
LogP-0.30
Rot. Bonds3

About sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride

sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride (PubChem CID 173127970) has the molecular formula C20H20FN2NaO4 and a molecular weight of 394.38 g/mol. Its IUPAC name is sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride.

Molecular Properties

Compound Namesodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride
PubChem CID173127970
Molecular FormulaC20H20FN2NaO4
Molecular Weight394.38 g/mol
Exact Mass394.13
IUPAC Namesodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride
SMILESCC(C)(C)C(=O)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(O)c1=O.[H-].[Na+]
InChIInChI=1S/C20H19FN2O4.Na.H/c1-20(2,3)18(26)14-11-22-8-9-23(10-12-4-6-13(21)7-5-12)19(27)15(22)17(25)16(14)24;;/h4-9,11,25H,10H2,1-3H3;;/q;+1;-1
InChIKeyHEUHJMQUUIRZGU-UHFFFAOYSA-N
XLogP-0.30
TPSA80.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride?
The IUPAC name of sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride (CID 173127970) is sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride.
What is the SMILES notation for sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride?
The canonical SMILES for sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride is CC(C)(C)C(=O)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(O)c1=O.[H-].[Na+].
What is the InChIKey of sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride?
The InChIKey is HEUHJMQUUIRZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4.Na.H/c1-20(2,3)18(26)14-11-22-8-9-23(10-12-4-6-13(21)7-5-12)19(27)15(22)17(25)16(14)24;;/h4-9,11,25H,10H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride?
sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride has a molecular weight of 394.38 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride is sourced from PubChem (CID 173127970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).