N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide

C20H19F2N3O6 — CID 171850333

IUPACN-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
SMILESCOC(Cn1ccn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2c1=O)OC
InChIInChI=1S/C20H19F2N3O6/c1-30-15(31-2)10-25-6-5-24-9-13(17(26)18(27)16(24)20(25)29)19(28)23-8-11-3-4-12(21)7-14(11)22/h3-7,9,15,27H,8,10H2,1-2H3,(H,23,28)
InChIKeyHQZZMMITIBHVQL-UHFFFAOYSA-N
MW435.38 g/mol
LogP0.99
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide

N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 171850333) has the molecular formula C20H19F2N3O6 and a molecular weight of 435.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID171850333
Molecular FormulaC20H19F2N3O6
Molecular Weight435.38 g/mol
Exact Mass435.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
SMILESCOC(Cn1ccn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2c1=O)OC
InChIInChI=1S/C20H19F2N3O6/c1-30-15(31-2)10-25-6-5-24-9-13(17(26)18(27)16(24)20(25)29)19(28)23-8-11-3-4-12(21)7-14(11)22/h3-7,9,15,27H,8,10H2,1-2H3,(H,23,28)
InChIKeyHQZZMMITIBHVQL-UHFFFAOYSA-N
XLogP0.99
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-hydroxybutyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
CID 170855321
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide
CID 171850338
4-[3-[7-[(2,4-difluorophenyl)methylcarbamoyl]-9-methoxy-1,8-dioxopyrido[1,2-a]pyrazin-2-yl]propoxy]-4-oxobutanoic acid
CID 153392391
methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-1-(2-hydroxy-2-methoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate
CID 130392580
N-[(2,4-difluorophenyl)methyl]-5'-hydroxy-1'-(2-methoxyethyl)-3'-methyl-4',6'-dioxospiro[cyclopentane-1,2'-pyrido[2,1-f][1,2,4]triazine]-7'-carboxamide
CID 122660412
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
N-[(2,4-difluorophenyl)methyl]-3-ethenyl-2-ethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 175637376
(2'S,4S)-N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2'-(methoxymethyl)-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide
CID 90312426
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 155273838
2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide
CID 153381837
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide
CID 90245191
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2'-(methoxymethyl)-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide;hydrochloride
CID 140649131

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide (CID 171850333) is N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide is COC(Cn1ccn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2c1=O)OC.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is HQZZMMITIBHVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O6/c1-30-15(31-2)10-25-6-5-24-9-13(17(26)18(27)16(24)20(25)29)19(28)23-8-11-3-4-12(21)7-14(11)22/h3-7,9,15,27H,8,10H2,1-2H3,(H,23,28).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 171850333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).