2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid

C23H17FN2O5 — CID 90991081

IUPAC2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(OCc2ccccc2)c1=O
InChIInChI=1S/C23H17FN2O5/c24-17-8-6-15(7-9-17)12-26-11-10-25-13-18(23(29)30)20(27)21(19(25)22(26)28)31-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,29,30)
InChIKeyOEGMFNLEVCMDNM-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.93
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid

2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 90991081) has the molecular formula C23H17FN2O5 and a molecular weight of 420.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid
PubChem CID90991081
Molecular FormulaC23H17FN2O5
Molecular Weight420.40 g/mol
Exact Mass420.11
IUPAC Name2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(OCc2ccccc2)c1=O
InChIInChI=1S/C23H17FN2O5/c24-17-8-6-15(7-9-17)12-26-11-10-25-13-18(23(29)30)20(27)21(19(25)22(26)28)31-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,29,30)
InChIKeyOEGMFNLEVCMDNM-UHFFFAOYSA-N
XLogP2.93
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 68677998
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide
CID 67309481
N-[(4-fluorophenyl)methyl]-1,8-dioxo-2-(2-phenoxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 67310299
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
CID 67329269
methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate
CID 59600575
sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride
CID 173127970
2-[[4-(dimethylamino)phenyl]methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxylic acid
CID 91039232
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione
CID 54683549
1-[(4-fluorophenyl)methyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 21079394
3-[(4-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090110
5-acetyl-N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;7-acetyl-2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;hydrochloride
CID 159083349
1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 68701294

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid (CID 90991081) is 2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid is O=C(O)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(OCc2ccccc2)c1=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is OEGMFNLEVCMDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O5/c24-17-8-6-15(7-9-17)12-26-11-10-25-13-18(23(29)30)20(27)21(19(25)22(26)28)31-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,29,30).
What are the key properties of 2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid?
2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 420.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 90991081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).