tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper

C24H10ClCuF2N5Na4O15S4 — CID 170840396

IUPACtetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper
SMILESO=S(=O)([O-])c1cc([O-])c2c(/N=N/c3cc(S(=O)(=O)O)c4cc(Nc5nc(F)nc(F)c5Cl)cc(S(=O)(=O)O)c4c3[O-])c([O-])cc(S(=O)(=O)O)c2c1.[Cu].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C24H14ClF2N5O15S4.Cu.4Na/c25-19-22(26)29-24(27)30-23(19)28-7-1-9-14(49(39,40)41)5-11(21(35)18(9)16(2-7)51(45,46)47)31-32-20-13(34)6-15(50(42,43)44)10-3-8(48(36,37)38)4-12(33)17(10)20;;;;;/h1-6,33-35H,(H,28,29,30)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;;/q;;4*+1/p-4/b32-31+;;;;;
InChIKeyFACHUZSOXXYNEM-KPUQBPQBSA-J
MW965.59 g/mol
LogP-10.25
Rot. Bonds8

About tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper

tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper (PubChem CID 170840396) has the molecular formula C24H10ClCuF2N5Na4O15S4 and a molecular weight of 965.59 g/mol. Its IUPAC name is tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper.

Molecular Properties

Compound Nametetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper
PubChem CID170840396
Molecular FormulaC24H10ClCuF2N5Na4O15S4
Molecular Weight965.59 g/mol
Exact Mass963.76
IUPAC Nametetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper
SMILESO=S(=O)([O-])c1cc([O-])c2c(/N=N/c3cc(S(=O)(=O)O)c4cc(Nc5nc(F)nc(F)c5Cl)cc(S(=O)(=O)O)c4c3[O-])c([O-])cc(S(=O)(=O)O)c2c1.[Cu].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C24H14ClF2N5O15S4.Cu.4Na/c25-19-22(26)29-24(27)30-23(19)28-7-1-9-14(49(39,40)41)5-11(21(35)18(9)16(2-7)51(45,46)47)31-32-20-13(34)6-15(50(42,43)44)10-3-8(48(36,37)38)4-12(33)17(10)20;;;;;/h1-6,33-35H,(H,28,29,30)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;;/q;;4*+1/p-4/b32-31+;;;;;
InChIKeyFACHUZSOXXYNEM-KPUQBPQBSA-J
XLogP-10.25
TPSA352.02 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.59
LogP ≤ 5-10.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper 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

tetrasodium;7-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-4-oxido-3-[(2-oxido-4-sulfo-6-sulfonatonaphthalen-1-yl)diazenyl]-5-sulfonaphthalene-1-sulfonate
CID 132555993
tetrasodium;2-[[8-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-1-oxido-3-sulfo-6-sulfonatonaphthalen-2-yl]diazenyl]benzene-1,4-disulfonate
CID 170845440
copper;tetrasodium;3-[(2,5-dioxido-7-sulfonatonaphthalen-1-yl)diazenyl]-4-oxido-5-sulfonaphthalene-1,7-disulfonate
CID 170853629
7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[3-sulfo-4-[(2,4,6-trihydroxypyrimidin-5-yl)diazenyl]phenyl]benzo[e]benzotriazole-5,9-disulfonic acid
CID 135730201
copper;trisodium;7-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate
CID 154734408
trisodium;5-amino-3-[[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-4-hydroxy-6-[(4-sulfamoylphenyl)diazenyl]naphthalene-2,7-disulfonate
CID 135666581
trisodium;7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-3-[(6-methyl-1-sulfo-4-sulfonatocyclohexa-2,4-dien-1-yl)diazenyl]-4-oxidonaphthalene-2-sulfonate
CID 170845474
7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxy-3-[(4-methyl-3,6-disulfonylcyclohexa-1,4-dien-1-yl)diazenyl]naphthalene-2-sulfonic acid
CID 136762800
5-amino-3-[[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-6-[2-[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinyl]naphthalene-2,7-disulfonic acid
CID 137128458
pentasodium;4-[[4-[(2-oxido-3-sulfo-6-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonate
CID 102269175
disodium;6-amino-5-[(4-chloro-2-sulfophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate
CID 102267590
6-oxido-4-sulfo-5-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 102424335

Frequently Asked Questions

What is the IUPAC name of tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper?
The IUPAC name of tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper (CID 170840396) is tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper.
What is the SMILES notation for tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper?
The canonical SMILES for tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper is O=S(=O)([O-])c1cc([O-])c2c(/N=N/c3cc(S(=O)(=O)O)c4cc(Nc5nc(F)nc(F)c5Cl)cc(S(=O)(=O)O)c4c3[O-])c([O-])cc(S(=O)(=O)O)c2c1.[Cu].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper?
The InChIKey is FACHUZSOXXYNEM-KPUQBPQBSA-J. The full InChI is InChI=1S/C24H14ClF2N5O15S4.Cu.4Na/c25-19-22(26)29-24(27)30-23(19)28-7-1-9-14(49(39,40)41)5-11(21(35)18(9)16(2-7)51(45,46)47)31-32-20-13(34)6-15(50(42,43)44)10-3-8(48(36,37)38)4-12(33)17(10)20;;;;;/h1-6,33-35H,(H,28,29,30)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;;/q;;4*+1/p-4/b32-31+;;;;;.
What are the key properties of tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper?
tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper has a molecular weight of 965.59 g/mol, XLogP of -10.25, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;5-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxido-4,8-disulfonaphthalen-2-yl]diazenyl]-4,6-dioxido-8-sulfonaphthalene-2-sulfonate;copper is sourced from PubChem (CID 170840396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).