2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide

C24H20N8O6 — CID 137274442

IUPAC2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)C(=O)N1CCN(C(=O)C(=O)/N=N/c2c(O)[nH]c3ccccc23)CC1
InChIInChI=1S/C24H20N8O6/c33-19-17(13-5-1-3-7-15(13)25-19)27-29-21(35)23(37)31-9-11-32(12-10-31)24(38)22(36)30-28-18-14-6-2-4-8-16(14)26-20(18)34/h1-8,25-26,33-34H,9-12H2/b29-27+,30-28+
InChIKeyUASQDTUOGFAJAB-QAVVBOBSSA-N
MW516.47 g/mol
LogP2.65
Rot. Bonds2

About 2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide

2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide (PubChem CID 137274442) has the molecular formula C24H20N8O6 and a molecular weight of 516.47 g/mol. Its IUPAC name is 2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide
PubChem CID137274442
Molecular FormulaC24H20N8O6
Molecular Weight516.47 g/mol
Exact Mass516.15
IUPAC Name2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)C(=O)N1CCN(C(=O)C(=O)/N=N/c2c(O)[nH]c3ccccc23)CC1
InChIInChI=1S/C24H20N8O6/c33-19-17(13-5-1-3-7-15(13)25-19)27-29-21(35)23(37)31-9-11-32(12-10-31)24(38)22(36)30-28-18-14-6-2-4-8-16(14)26-20(18)34/h1-8,25-26,33-34H,9-12H2/b29-27+,30-28+
InChIKeyUASQDTUOGFAJAB-QAVVBOBSSA-N
XLogP2.65
TPSA196.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.47
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 922351
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide
CID 3070816
4-[[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid
CID 3538856
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ylacetamide;hydrochloride
CID 135770325
(2-hydroxy-1H-indol-3-yl)iminothiourea
CID 690109
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
CID 615744
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 3784946
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135736582
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide?
The IUPAC name of 2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide (CID 137274442) is 2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide.
What is the SMILES notation for 2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide?
The canonical SMILES for 2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)C(=O)N1CCN(C(=O)C(=O)/N=N/c2c(O)[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide?
The InChIKey is UASQDTUOGFAJAB-QAVVBOBSSA-N. The full InChI is InChI=1S/C24H20N8O6/c33-19-17(13-5-1-3-7-15(13)25-19)27-29-21(35)23(37)31-9-11-32(12-10-31)24(38)22(36)30-28-18-14-6-2-4-8-16(14)26-20(18)34/h1-8,25-26,33-34H,9-12H2/b29-27+,30-28+.
What are the key properties of 2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide?
2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide has a molecular weight of 516.47 g/mol, XLogP of 2.65, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide is sourced from PubChem (CID 137274442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).