3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid

C27H23FN4O4 — CID 135937915

IUPAC3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid
SMILESCc1[nH]n(-c2ccc3c(c2)CCCC3)c(=O)c1/N=N/c1cc(F)cc(-c2cccc(C(=O)O)c2)c1O
InChIInChI=1S/C27H23FN4O4/c1-15-24(26(34)32(31-15)21-10-9-16-5-2-3-6-17(16)12-21)30-29-23-14-20(28)13-22(25(23)33)18-7-4-8-19(11-18)27(35)36/h4,7-14,31,33H,2-3,5-6H2,1H3,(H,35,36)/b30-29+
InChIKeyQGLHBKKLDVOWBJ-QVIHXGFCSA-N
MW486.50 g/mol
LogP5.98
Rot. Bonds5

About 3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid

3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid (PubChem CID 135937915) has the molecular formula C27H23FN4O4 and a molecular weight of 486.50 g/mol. Its IUPAC name is 3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid.

Molecular Properties

Compound Name3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid
PubChem CID135937915
Molecular FormulaC27H23FN4O4
Molecular Weight486.50 g/mol
Exact Mass486.17
IUPAC Name3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid
SMILESCc1[nH]n(-c2ccc3c(c2)CCCC3)c(=O)c1/N=N/c1cc(F)cc(-c2cccc(C(=O)O)c2)c1O
InChIInChI=1S/C27H23FN4O4/c1-15-24(26(34)32(31-15)21-10-9-16-5-2-3-6-17(16)12-21)30-29-23-14-20(28)13-22(25(23)33)18-7-4-8-19(11-18)27(35)36/h4,7-14,31,33H,2-3,5-6H2,1H3,(H,35,36)/b30-29+
InChIKeyQGLHBKKLDVOWBJ-QVIHXGFCSA-N
XLogP5.98
TPSA120.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid 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

Eltrombopag
CID 135449332
4-{N''-[1-(3,4-Dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-3-hydroxy-naphthalene-1-carboxylic acid
CID 135487637
Eltrombopag choline
CID 157010649
Eltrombopag olamine
CID 135449331
3-Hydroxy-4-[N''-(3-methyl-5-oxo-1-p-tolyl-1,5-dihydro-pyrazol-4-ylidene)-hydrazino]-naphthalene-1-carboxylic acid
CID 135423069
3-Hydroxy-4-[(5-hydroxy-3-methyl-1-phenyl-1h-pyrazol-4-yl)azo]-1-naphthalenecarboxylic acid
CID 135487601
Eltrombopag ethanolamine
CID 136036248
Eltrombopag Methyl Ester
CID 136113727
Descarboxylic Acid Eltrombopag
CID 136401415
Eltrombopag metabolite G
CID 162368377
sodium 3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoate
CID 136036247
3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid
CID 172465147

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid?
The IUPAC name of 3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid (CID 135937915) is 3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid.
What is the SMILES notation for 3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid?
The canonical SMILES for 3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid is Cc1[nH]n(-c2ccc3c(c2)CCCC3)c(=O)c1/N=N/c1cc(F)cc(-c2cccc(C(=O)O)c2)c1O.
What is the InChIKey of 3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid?
The InChIKey is QGLHBKKLDVOWBJ-QVIHXGFCSA-N. The full InChI is InChI=1S/C27H23FN4O4/c1-15-24(26(34)32(31-15)21-10-9-16-5-2-3-6-17(16)12-21)30-29-23-14-20(28)13-22(25(23)33)18-7-4-8-19(11-18)27(35)36/h4,7-14,31,33H,2-3,5-6H2,1H3,(H,35,36)/b30-29+.
What are the key properties of 3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid?
3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid has a molecular weight of 486.50 g/mol, XLogP of 5.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid is sourced from PubChem (CID 135937915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).