N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide

C30H23F2N3O4 — CID 68677998

IUPACN,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(OCc2ccccc2)c1=O
InChIInChI=1S/C30H23F2N3O4/c31-23-10-6-20(7-11-23)16-33-29(37)25-18-34-14-15-35(17-21-8-12-24(32)13-9-21)30(38)26(34)28(27(25)36)39-19-22-4-2-1-3-5-22/h1-15,18H,16-17,19H2,(H,33,37)
InChIKeyOGGYAXFXUMPTSA-UHFFFAOYSA-N
MW527.53 g/mol
LogP4.30
Rot. Bonds8

About N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide

N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 68677998) has the molecular formula C30H23F2N3O4 and a molecular weight of 527.53 g/mol. Its IUPAC name is N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID68677998
Molecular FormulaC30H23F2N3O4
Molecular Weight527.53 g/mol
Exact Mass527.17
IUPAC NameN,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(OCc2ccccc2)c1=O
InChIInChI=1S/C30H23F2N3O4/c31-23-10-6-20(7-11-23)16-33-29(37)25-18-34-14-15-35(17-21-8-12-24(32)13-9-21)30(38)26(34)28(27(25)36)39-19-22-4-2-1-3-5-22/h1-15,18H,16-17,19H2,(H,33,37)
InChIKeyOGGYAXFXUMPTSA-UHFFFAOYSA-N
XLogP4.30
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-1,8-dioxo-2-(2-phenoxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 67310299
2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid
CID 90991081
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-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
CID 67329269
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylic acid
CID 152765811
methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate
CID 59600575
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 59600570
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide
CID 59600586
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
methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate
CID 130410779
7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 59392913
sodium;7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydride
CID 173127970

Frequently Asked Questions

What is the IUPAC name of N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide (CID 68677998) is N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(OCc2ccccc2)c1=O.
What is the InChIKey of N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is OGGYAXFXUMPTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N3O4/c31-23-10-6-20(7-11-23)16-33-29(37)25-18-34-14-15-35(17-21-8-12-24(32)13-9-21)30(38)26(34)28(27(25)36)39-19-22-4-2-1-3-5-22/h1-15,18H,16-17,19H2,(H,33,37).
What are the key properties of N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide?
N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 527.53 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 68677998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).