4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid

C26H22N8O8 — CID 164735967

IUPAC4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid
SMILES[H]/N=N/C(=C\Nc1ccc(C(=O)O)c(O)c1)c1cc(C(=O)NCCO)cc(-c2cn(-c3ccc(C(=O)O)c(O)c3)nn2)n1
InChIInChI=1S/C26H22N8O8/c27-31-20(11-29-14-1-3-16(25(39)40)22(36)9-14)18-7-13(24(38)28-5-6-35)8-19(30-18)21-12-34(33-32-21)15-2-4-17(26(41)42)23(37)10-15/h1-4,7-12,27,29,35-37H,5-6H2,(H,28,38)(H,39,40)(H,41,42)/b20-11-,31-27+
InChIKeyAZNQAUTVUMXICI-LJOCFKMBSA-N
MW574.51 g/mol
LogP2.30
Rot. Bonds11

About 4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid

4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid (PubChem CID 164735967) has the molecular formula C26H22N8O8 and a molecular weight of 574.51 g/mol. Its IUPAC name is 4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid
PubChem CID164735967
Molecular FormulaC26H22N8O8
Molecular Weight574.51 g/mol
Exact Mass574.16
IUPAC Name4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid
SMILES[H]/N=N/C(=C\Nc1ccc(C(=O)O)c(O)c1)c1cc(C(=O)NCCO)cc(-c2cn(-c3ccc(C(=O)O)c(O)c3)nn2)n1
InChIInChI=1S/C26H22N8O8/c27-31-20(11-29-14-1-3-16(25(39)40)22(36)9-14)18-7-13(24(38)28-5-6-35)8-19(30-18)21-12-34(33-32-21)15-2-4-17(26(41)42)23(37)10-15/h1-4,7-12,27,29,35-37H,5-6H2,(H,28,38)(H,39,40)(H,41,42)/b20-11-,31-27+
InChIKeyAZNQAUTVUMXICI-LJOCFKMBSA-N
XLogP2.30
TPSA256.23 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500574.51
LogP ≤ 52.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic 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-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(ethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid
CID 164735996
4-[3-[[(Z)-2-[6-[1-[3-[4-carboxy-3-(trifluoromethyl)phenyl]phenyl]triazol-4-yl]-4-(ethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]phenyl]-2-(trifluoromethyl)benzoic acid
CID 164735953
(2S)-2-[[4-[[(Z)-2-diazenyl-2-[6-[1-[4-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-3-(trifluoromethyl)phenyl]triazol-4-yl]-4-(ethylcarbamoyl)-2-pyridinyl]ethenyl]amino]-2-(trifluoromethyl)benzoyl]amino]butanedioic acid
CID 164735992
4-[4-[4-(benzylcarbamoyl)-6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 155436744
4-[4-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(cyclopentylcarbamoyl)-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 139314616
4-[4-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-(cyclopentylcarbamoyl)-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 170187362
4-[4-[4-[2,6-bis[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-pyridinyl]-4-oxobutyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 160645761
4-[4-[4-(azetidine-1-carbonyl)-6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid;azetidin-1-yl-(2,6-diethynyl-4-pyridinyl)methanone
CID 165044789
4-[4-[4-(cyclohexylcarbamoyl)-6-[1-[4-(dihydroxymethyl)-3-hydroxyphenyl]triazol-4-yl]-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 155446229
2-[(Z)-2-(1H-benzimidazol-4-ylamino)-1-diazenylethenyl]-6-[1-(3H-benzimidazol-4-yl)triazol-4-yl]-N-ethylpyridine-4-carboxamide
CID 164735948
4-[5-[4-(tert-butylcarbamoyl)-6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-2-pyridinyl]-1,2-dihydrotriazol-3-yl]-2-hydroxybenzoic acid
CID 139314560
4-[4-[3-[1-(4-carboxyphenyl)triazol-4-yl]phenyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 138741012

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid (CID 164735967) is 4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid is [H]/N=N/C(=C\Nc1ccc(C(=O)O)c(O)c1)c1cc(C(=O)NCCO)cc(-c2cn(-c3ccc(C(=O)O)c(O)c3)nn2)n1.
What is the InChIKey of 4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid?
The InChIKey is AZNQAUTVUMXICI-LJOCFKMBSA-N. The full InChI is InChI=1S/C26H22N8O8/c27-31-20(11-29-14-1-3-16(25(39)40)22(36)9-14)18-7-13(24(38)28-5-6-35)8-19(30-18)21-12-34(33-32-21)15-2-4-17(26(41)42)23(37)10-15/h1-4,7-12,27,29,35-37H,5-6H2,(H,28,38)(H,39,40)(H,41,42)/b20-11-,31-27+.
What are the key properties of 4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid?
4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid has a molecular weight of 574.51 g/mol, XLogP of 2.30, 11 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-2-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(2-hydroxyethylcarbamoyl)-2-pyridinyl]-2-diazenylethenyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 164735967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).