N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide

C25H24FN3O4 — CID 27378108

IUPACN-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O
InChIInChI=1S/C25H24FN3O4/c1-17-4-2-3-5-20(17)24(31)27-10-11-28-12-13-29-15-23(22(30)14-21(29)25(28)32)33-16-18-6-8-19(26)9-7-18/h2-9,14-15H,10-13,16H2,1H3,(H,27,31)
InChIKeyFRFXYQWQTYBSKE-UHFFFAOYSA-N
MW449.48 g/mol
LogP2.76
Rot. Bonds7

About N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide

N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide (PubChem CID 27378108) has the molecular formula C25H24FN3O4 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide
PubChem CID27378108
Molecular FormulaC25H24FN3O4
Molecular Weight449.48 g/mol
Exact Mass449.18
IUPAC NameN-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O
InChIInChI=1S/C25H24FN3O4/c1-17-4-2-3-5-20(17)24(31)27-10-11-28-12-13-29-15-23(22(30)14-21(29)25(28)32)33-16-18-6-8-19(26)9-7-18/h2-9,14-15H,10-13,16H2,1H3,(H,27,31)
InChIKeyFRFXYQWQTYBSKE-UHFFFAOYSA-N
XLogP2.76
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-Methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730919
1-[2-[2-Methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71731804
1-[2-[4-(Ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71732074
N-(2-oxo-2-(2-phenylmorpholino)ethyl)-2-(trifluoromethyl)benzamide
CID 16894773
N-[2-(6-methoxy-1,7-dioxo-2,4a-diaza-1,3,4,7-tetrahydro-2H-naphth-2-yl)ethyl]3,4-difluorobenzamide
CID 27378045
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-2-fluorobenzamide
CID 27378083
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-3-fluorobenzamide
CID 27378084
N-(2-{6-[(p-fluorophenyl)methoxy]-1,7-dioxo-2,4a-diaza-1,3,4,7-tetrahydro-2H-naphth-2-yl}ethyl)propionamide
CID 27378104
2-ethyl-N-(2-(7-((4-fluorobenzyl)oxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)butanamide
CID 27378105
N-(2-{6-[(p-fluorophenyl)methoxy]-1,7-dioxo-2,4a-diaza-1,3,4,7-tetrahydro-2H-naphth-2-yl}ethyl)cyclopentylacetamide
CID 27378107
N-(2-(7-((4-fluorobenzyl)oxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-3-methylbenzamide
CID 27378109
N-(2-{7-ethoxy-1,8-dioxo-1H,2H,3H,4H,8H-pyrido[1,2-a]pyrazin-2-yl}ethyl)-2-fluorobenzamide
CID 27457218

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide (CID 27378108) is N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O.
What is the InChIKey of N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide?
The InChIKey is FRFXYQWQTYBSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4/c1-17-4-2-3-5-20(17)24(31)27-10-11-28-12-13-29-15-23(22(30)14-21(29)25(28)32)33-16-18-6-8-19(26)9-7-18/h2-9,14-15H,10-13,16H2,1H3,(H,27,31).
What are the key properties of N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide?
N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide has a molecular weight of 449.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 27378108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).