1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide

C32H16Br2F4N4O5Se — CID 158144085

IUPAC1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide
SMILESO=C(C(=O)c1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1.O=C(Cc1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1.O=[Se]=O
InChIInChI=1S/C16H7BrF2N2O2.C16H9BrF2N2O.O2Se/c17-9-6-14-12(20-7-9)3-4-13(21-14)16(23)15(22)8-1-2-10(18)11(19)5-8;17-10-6-15-14(20-8-10)4-2-11(21-15)7-16(22)9-1-3-12(18)13(19)5-9;1-3-2/h1-7H;1-6,8H,7H2;
InChIKeyFUHJDNDHLJKOKC-UHFFFAOYSA-N
MW851.26 g/mol
LogP7.21
Rot. Bonds6

About 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide

1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide (PubChem CID 158144085) has the molecular formula C32H16Br2F4N4O5Se and a molecular weight of 851.26 g/mol. Its IUPAC name is 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide.

Molecular Properties

Compound Name1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide
PubChem CID158144085
Molecular FormulaC32H16Br2F4N4O5Se
Molecular Weight851.26 g/mol
Exact Mass849.86
IUPAC Name1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide
SMILESO=C(C(=O)c1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1.O=C(Cc1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1.O=[Se]=O
InChIInChI=1S/C16H7BrF2N2O2.C16H9BrF2N2O.O2Se/c17-9-6-14-12(20-7-9)3-4-13(21-14)16(23)15(22)8-1-2-10(18)11(19)5-8;17-10-6-15-14(20-8-10)4-2-11(21-15)7-16(22)9-1-3-12(18)13(19)5-9;1-3-2/h1-7H;1-6,8H,7H2;
InChIKeyFUHJDNDHLJKOKC-UHFFFAOYSA-N
XLogP7.21
TPSA136.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.26
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-8-[3-[[5-bromo-7-[(4-fluorophenyl)methylcarbamoyl]-1,6-naphthyridin-8-yl]amino]propylamino]-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide
CID 71461000
2-bromo-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide
CID 117847202
1-(5-Bromo-2-fluoro-3-pyridinyl)-2,2-difluoro-2-quinolin-6-ylethanone;3,5-dibromo-2-fluoropyridine
CID 140192486
1-(7-Bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione
CID 146661882
1-(7-Bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2,4-difluorophenyl)ethane-1,2-dione
CID 146661953
2-(7-Bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone
CID 146661979
1-(7-Bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione
CID 146662052
2-(7-Bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone
CID 146662188
(Z)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 146662286
tert-butyl 2-[(3R,5R)-1-[3-[2-(7-bromo-1,5-naphthyridin-2-yl)-2-oxoethyl]-4-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]acetate
CID 149291580
2-(7-Bromo-1,5-naphthyridin-2-yl)-1-(5-fluoro-6-methyl-2-pyridinyl)ethanone
CID 156389693
(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-3-(dimethylamino)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-one
CID 156389946

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide?
The IUPAC name of 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide (CID 158144085) is 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide.
What is the SMILES notation for 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide?
The canonical SMILES for 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide is O=C(C(=O)c1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1.O=C(Cc1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1.O=[Se]=O.
What is the InChIKey of 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide?
The InChIKey is FUHJDNDHLJKOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7BrF2N2O2.C16H9BrF2N2O.O2Se/c17-9-6-14-12(20-7-9)3-4-13(21-14)16(23)15(22)8-1-2-10(18)11(19)5-8;17-10-6-15-14(20-8-10)4-2-11(21-15)7-16(22)9-1-3-12(18)13(19)5-9;1-3-2/h1-7H;1-6,8H,7H2;.
What are the key properties of 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide?
1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide has a molecular weight of 851.26 g/mol, XLogP of 7.21, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone;selenium dioxide is sourced from PubChem (CID 158144085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).