3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol

C23H25N5O2 — CID 135858939

IUPAC3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCN1CCN(CCO/N=C2/C(c3c(O)[nH]c4ccccc34)=Nc3ccccc32)CC1
InChIInChI=1S/C23H25N5O2/c1-27-10-12-28(13-11-27)14-15-30-26-21-17-7-3-5-9-19(17)24-22(21)20-16-6-2-4-8-18(16)25-23(20)29/h2-9,25,29H,10-15H2,1H3/b26-21+
InChIKeyMHMBDMHDWPSLKQ-YYADALCUSA-N
MW403.49 g/mol
LogP2.98
Rot. Bonds5

About 3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol

3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol (PubChem CID 135858939) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
PubChem CID135858939
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCN1CCN(CCO/N=C2/C(c3c(O)[nH]c4ccccc34)=Nc3ccccc32)CC1
InChIInChI=1S/C23H25N5O2/c1-27-10-12-28(13-11-27)14-15-30-26-21-17-7-3-5-9-19(17)24-22(21)20-16-6-2-4-8-18(16)25-23(20)29/h2-9,25,29H,10-15H2,1H3/b26-21+
InChIKeyMHMBDMHDWPSLKQ-YYADALCUSA-N
XLogP2.98
TPSA76.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol (CID 135858939) is 3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol is CN1CCN(CCO/N=C2/C(c3c(O)[nH]c4ccccc34)=Nc3ccccc32)CC1.
What is the InChIKey of 3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The InChIKey is MHMBDMHDWPSLKQ-YYADALCUSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27-10-12-28(13-11-27)14-15-30-26-21-17-7-3-5-9-19(17)24-22(21)20-16-6-2-4-8-18(16)25-23(20)29/h2-9,25,29H,10-15H2,1H3/b26-21+.
What are the key properties of 3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol has a molecular weight of 403.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 135858939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).