N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide

C26H24FN3O4 — CID 67329269

IUPACN-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)n1ccn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(OCc3ccccc3)c2c1=O
InChIInChI=1S/C26H24FN3O4/c1-17(2)30-13-12-29-15-21(25(32)28-14-18-8-10-20(27)11-9-18)23(31)24(22(29)26(30)33)34-16-19-6-4-3-5-7-19/h3-13,15,17H,14,16H2,1-2H3,(H,28,32)
InChIKeyXVPYBTKIOUCHOZ-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.69
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 67329269) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID67329269
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)n1ccn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(OCc3ccccc3)c2c1=O
InChIInChI=1S/C26H24FN3O4/c1-17(2)30-13-12-29-15-21(25(32)28-14-18-8-10-20(27)11-9-18)23(31)24(22(29)26(30)33)34-16-19-6-4-3-5-7-19/h3-13,15,17H,14,16H2,1-2H3,(H,28,32)
InChIKeyXVPYBTKIOUCHOZ-UHFFFAOYSA-N
XLogP3.69
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.69
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-2-(2-phenoxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 67310299
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide
CID 67309481
2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid
CID 90991081
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylic acid
CID 152765811
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 59600570
methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate
CID 130410779
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide
CID 59600586
methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate
CID 59600575
N-[(4-fluorophenyl)methyl]-7-methyl-4-(2-methylpropyl)-9,12-dioxo-11-phenylmethoxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 77150734
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide
CID 71482107

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide (CID 67329269) is N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide is CC(C)n1ccn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(OCc3ccccc3)c2c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is XVPYBTKIOUCHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-17(2)30-13-12-29-15-21(25(32)28-14-18-8-10-20(27)11-9-18)23(31)24(22(29)26(30)33)34-16-19-6-4-3-5-7-19/h3-13,15,17H,14,16H2,1-2H3,(H,28,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 67329269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).