4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid

C26H24N4O5S — CID 158028622

IUPAC4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid
SMILESCc1cc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)cc(C=O)c1OC(C)C
InChIInChI=1S/C26H24N4O5S/c1-15(2)35-26-16(3)10-17(11-18(26)14-31)22-9-8-19(13-28-22)29-30-23-12-24(36(32,33)34)20-6-4-5-7-21(20)25(23)27/h4-15H,27H2,1-3H3,(H,32,33,34)/b30-29+
InChIKeyFGXGQBHXOFHZFR-QVIHXGFCSA-N
MW504.57 g/mol
LogP6.05
Rot. Bonds7

About 4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid

4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid (PubChem CID 158028622) has the molecular formula C26H24N4O5S and a molecular weight of 504.57 g/mol. Its IUPAC name is 4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid
PubChem CID158028622
Molecular FormulaC26H24N4O5S
Molecular Weight504.57 g/mol
Exact Mass504.15
IUPAC Name4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid
SMILESCc1cc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)cc(C=O)c1OC(C)C
InChIInChI=1S/C26H24N4O5S/c1-15(2)35-26-16(3)10-17(11-18(26)14-31)22-9-8-19(13-28-22)29-30-23-12-24(36(32,33)34)20-6-4-5-7-21(20)25(23)27/h4-15H,27H2,1-3H3,(H,32,33,34)/b30-29+
InChIKeyFGXGQBHXOFHZFR-QVIHXGFCSA-N
XLogP6.05
TPSA144.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.57
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic 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

4-amino-3-[[6-(3-methylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid
CID 56639940
4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde
CID 160649818
sodium 4-amino-3-[[6-(2-methylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonate
CID 56639857
4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]naphthalene-1-sulfonate
CID 139208471
4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 102244456
4-amino-3-[[4-[2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]ethynyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 2750502
4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide
CID 158582128
5-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxy-3-methylbenzoic acid
CID 136714793
4-hydroxy-3-[[4-[4-[[4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonic acid
CID 136694696
disodium;4-amino-3-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 139595340
4-amino-3-[(2-methylphenyl)diazenyl]naphthalene-1-sulfonate
CID 139208472
4-amino-3-[[4-[4-[[(E)-1-[2-(aminomethyl)phenyl]-1-sulfopent-1-en-3-yl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 142925572

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid?
The IUPAC name of 4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid (CID 158028622) is 4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid.
What is the SMILES notation for 4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid?
The canonical SMILES for 4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid is Cc1cc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)cc(C=O)c1OC(C)C.
What is the InChIKey of 4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid?
The InChIKey is FGXGQBHXOFHZFR-QVIHXGFCSA-N. The full InChI is InChI=1S/C26H24N4O5S/c1-15(2)35-26-16(3)10-17(11-18(26)14-31)22-9-8-19(13-28-22)29-30-23-12-24(36(32,33)34)20-6-4-5-7-21(20)25(23)27/h4-15H,27H2,1-3H3,(H,32,33,34)/b30-29+.
What are the key properties of 4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid?
4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid has a molecular weight of 504.57 g/mol, XLogP of 6.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid is sourced from PubChem (CID 158028622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).