3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one

C25H23N5O — CID 175422602

IUPAC3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCCCCn1c2ccccc2c2cc(/C=N/N=C3C(=O)Nc4ccccc43)nc(C)c21
InChIInChI=1S/C25H23N5O/c1-3-4-13-30-22-12-8-6-9-18(22)20-14-17(27-16(2)24(20)30)15-26-29-23-19-10-5-7-11-21(19)28-25(23)31/h5-12,14-15H,3-4,13H2,1-2H3,(H,28,29,31)/b26-15+
InChIKeyDEKXHKUHOVSZKX-CVKSISIWSA-N
MW409.49 g/mol
LogP5.07
Rot. Bonds5

About 3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one

3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 175422602) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID175422602
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCCCCn1c2ccccc2c2cc(/C=N/N=C3C(=O)Nc4ccccc43)nc(C)c21
InChIInChI=1S/C25H23N5O/c1-3-4-13-30-22-12-8-6-9-18(22)20-14-17(27-16(2)24(20)30)15-26-29-23-19-10-5-7-11-21(19)28-25(23)31/h5-12,14-15H,3-4,13H2,1-2H3,(H,28,29,31)/b26-15+
InChIKeyDEKXHKUHOVSZKX-CVKSISIWSA-N
XLogP5.07
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one 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

3-[(9-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
CID 175422623
(3Z)-3-[(E)-[9-(2-methylpropyl)pyrido[3,4-b]indol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one
CID 168873420
9-butyl-1-propan-2-ylpyrido[3,4-b]indole-3-carbaldehyde
CID 141373781
N,N-diethyl-3-[[1-methyl-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methylideneamino]propan-1-amine
CID 46849930
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
N,N'-bis[(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methyl]hexane-1,6-diamine
CID 134140147
9-butyl-1-(2-chlorophenyl)-3-methylpyrido[3,4-b]indole
CID 174732633
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135674247
(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135411606
(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of 3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one (CID 175422602) is 3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one is CCCCn1c2ccccc2c2cc(/C=N/N=C3C(=O)Nc4ccccc43)nc(C)c21.
What is the InChIKey of 3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is DEKXHKUHOVSZKX-CVKSISIWSA-N. The full InChI is InChI=1S/C25H23N5O/c1-3-4-13-30-22-12-8-6-9-18(22)20-14-17(27-16(2)24(20)30)15-26-29-23-19-10-5-7-11-21(19)28-25(23)31/h5-12,14-15H,3-4,13H2,1-2H3,(H,28,29,31)/b26-15+.
What are the key properties of 3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?
3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 409.49 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 175422602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).