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

C67H62BrCl4F3N6O15 — CID 159083349

IUPAC5-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
SMILESCC(=O)c1cn2ccn(Cc3ccc(F)c(Cl)c3)c(=O)c2c(O)c1=O.COC(Cn1cc(Br)c(=O)c(OCc2ccccc2)c1C(=O)NCc1ccc(F)c(Cl)c1)OC.COC(Cn1cc(C(C)=O)c(=O)c(OCc2ccccc2)c1C(=O)NCc1ccc(F)c(Cl)c1)OC.Cl
InChIInChI=1S/C26H26ClFN2O6.C24H23BrClFN2O5.C17H12ClFN2O4.ClH/c1-16(31)19-13-30(14-22(34-2)35-3)23(25(24(19)32)36-15-17-7-5-4-6-8-17)26(33)29-12-18-9-10-21(28)20(27)11-18;1-32-20(33-2)13-29-12-17(25)22(30)23(34-14-15-6-4-3-5-7-15)21(29)24(31)28-11-16-8-9-19(27)18(26)10-16;1-9(22)11-8-20-4-5-21(17(25)14(20)16(24)15(11)23)7-10-2-3-13(19)12(18)6-10;/h4-11,13,22H,12,14-15H2,1-3H3,(H,29,33);3-10,12,20H,11,13-14H2,1-2H3,(H,28,31);2-6,8,24H,7H2,1H3;1H
InChIKeyZOQUBQMBSPJSHB-UHFFFAOYSA-N
MW1469.97 g/mol
LogP11.13
Rot. Bonds24

About 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

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 (PubChem CID 159083349) has the molecular formula C67H62BrCl4F3N6O15 and a molecular weight of 1469.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159083349
Molecular FormulaC67H62BrCl4F3N6O15
Molecular Weight1469.97 g/mol
Exact Mass1466.22
IUPAC Name5-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
SMILESCC(=O)c1cn2ccn(Cc3ccc(F)c(Cl)c3)c(=O)c2c(O)c1=O.COC(Cn1cc(Br)c(=O)c(OCc2ccccc2)c1C(=O)NCc1ccc(F)c(Cl)c1)OC.COC(Cn1cc(C(C)=O)c(=O)c(OCc2ccccc2)c1C(=O)NCc1ccc(F)c(Cl)c1)OC.Cl
InChIInChI=1S/C26H26ClFN2O6.C24H23BrClFN2O5.C17H12ClFN2O4.ClH/c1-16(31)19-13-30(14-22(34-2)35-3)23(25(24(19)32)36-15-17-7-5-4-6-8-17)26(33)29-12-18-9-10-21(28)20(27)11-18;1-32-20(33-2)13-29-12-17(25)22(30)23(34-14-15-6-4-3-5-7-15)21(29)24(31)28-11-16-8-9-19(27)18(26)10-16;1-9(22)11-8-20-4-5-21(17(25)14(20)16(24)15(11)23)7-10-2-3-13(19)12(18)6-10;/h4-11,13,22H,12,14-15H2,1-3H3,(H,29,33);3-10,12,20H,11,13-14H2,1-2H3,(H,28,31);2-6,8,24H,7H2,1H3;1H
InChIKeyZOQUBQMBSPJSHB-UHFFFAOYSA-N
XLogP11.13
TPSA255.43 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.97
LogP ≤ 511.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 160512093
N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 68677998
[6-[(3-chlorophenyl)methylcarbamoyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenylmethoxy-3-pyridinyl]carbamic acid
CID 21091367
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyran-2-carboxamide
CID 58859171
N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
CID 171850333
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-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
CID 67329269
1-(2,2-dimethoxyethyl)-6-methoxycarbonyl-4-oxo-5-phenylmethoxypyridine-3-carboxylic acid
CID 134830452
ethyl 2-[[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carbonyl]amino]acetate
CID 90896031
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
methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate
CID 59600575

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cn2ccn(Cc3ccc(F)c(Cl)c3)c(=O)c2c(O)c1=O.COC(Cn1cc(Br)c(=O)c(OCc2ccccc2)c1C(=O)NCc1ccc(F)c(Cl)c1)OC.COC(Cn1cc(C(C)=O)c(=O)c(OCc2ccccc2)c1C(=O)NCc1ccc(F)c(Cl)c1)OC.Cl.
What is the InChIKey of 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?
The InChIKey is ZOQUBQMBSPJSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN2O6.C24H23BrClFN2O5.C17H12ClFN2O4.ClH/c1-16(31)19-13-30(14-22(34-2)35-3)23(25(24(19)32)36-15-17-7-5-4-6-8-17)26(33)29-12-18-9-10-21(28)20(27)11-18;1-32-20(33-2)13-29-12-17(25)22(30)23(34-14-15-6-4-3-5-7-15)21(29)24(31)28-11-16-8-9-19(27)18(26)10-16;1-9(22)11-8-20-4-5-21(17(25)14(20)16(24)15(11)23)7-10-2-3-13(19)12(18)6-10;/h4-11,13,22H,12,14-15H2,1-3H3,(H,29,33);3-10,12,20H,11,13-14H2,1-2H3,(H,28,31);2-6,8,24H,7H2,1H3;1H.
What are the key properties of 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?
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 has a molecular weight of 1469.97 g/mol, XLogP of 11.13, 24 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159083349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).