7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C22H25FN2O5 — CID 54707936

IUPAC7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCOCC1CN(Cc2ccc(F)cc2)C(=O)c2c(O)c(=O)c(C(=O)C(C)(C)C)cn21
InChIInChI=1S/C22H25FN2O5/c1-22(2,3)20(28)16-11-25-15(12-30-4)10-24(9-13-5-7-14(23)8-6-13)21(29)17(25)19(27)18(16)26/h5-8,11,15,27H,9-10,12H2,1-4H3
InChIKeyDPWAXGFHJYWAFC-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.77
Rot. Bonds5

About 7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54707936) has the molecular formula C22H25FN2O5 and a molecular weight of 416.45 g/mol. Its IUPAC name is 7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54707936
Molecular FormulaC22H25FN2O5
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCOCC1CN(Cc2ccc(F)cc2)C(=O)c2c(O)c(=O)c(C(=O)C(C)(C)C)cn21
InChIInChI=1S/C22H25FN2O5/c1-22(2,3)20(28)16-11-25-15(12-30-4)10-24(9-13-5-7-14(23)8-6-13)21(29)17(25)19(27)18(16)26/h5-8,11,15,27H,9-10,12H2,1-4H3
InChIKeyDPWAXGFHJYWAFC-UHFFFAOYSA-N
XLogP2.77
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54707936) is 7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is COCC1CN(Cc2ccc(F)cc2)C(=O)c2c(O)c(=O)c(C(=O)C(C)(C)C)cn21.
What is the InChIKey of 7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is DPWAXGFHJYWAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O5/c1-22(2,3)20(28)16-11-25-15(12-30-4)10-24(9-13-5-7-14(23)8-6-13)21(29)17(25)19(27)18(16)26/h5-8,11,15,27H,9-10,12H2,1-4H3.
What are the key properties of 7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 416.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54707936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).