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

C20H22FN3O4 — CID 27378104

IUPACN-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O
InChIInChI=1S/C20H22FN3O4/c1-2-19(26)22-7-8-23-9-10-24-12-18(17(25)11-16(24)20(23)27)28-13-14-3-5-15(21)6-4-14/h3-6,11-12H,2,7-10,13H2,1H3,(H,22,26)
InChIKeyPGGPVZOAVFERNM-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.55
Rot. Bonds7

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

N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]propanamide (PubChem CID 27378104) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 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]propanamide.

Molecular Properties

Compound NameN-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]propanamide
PubChem CID27378104
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O
InChIInChI=1S/C20H22FN3O4/c1-2-19(26)22-7-8-23-9-10-24-12-18(17(25)11-16(24)20(23)27)28-13-14-3-5-15(21)6-4-14/h3-6,11-12H,2,7-10,13H2,1H3,(H,22,26)
InChIKeyPGGPVZOAVFERNM-UHFFFAOYSA-N
XLogP1.55
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]propanamide?
The IUPAC name of N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]propanamide (CID 27378104) is N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]propanamide.
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]propanamide?
The canonical SMILES for N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]propanamide is CCC(=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]propanamide?
The InChIKey is PGGPVZOAVFERNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-2-19(26)22-7-8-23-9-10-24-12-18(17(25)11-16(24)20(23)27)28-13-14-3-5-15(21)6-4-14/h3-6,11-12H,2,7-10,13H2,1H3,(H,22,26).
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]propanamide?
N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]propanamide has a molecular weight of 387.41 g/mol, XLogP of 1.55, 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]propanamide is sourced from PubChem (CID 27378104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).