3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide

C26H26N4O3 — CID 134809715

IUPAC3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3cccc(NC(C)=O)c3)ccc21
InChIInChI=1S/C26H26N4O3/c1-18(31)29-22-8-5-7-19(14-22)24-9-4-3-6-20(24)17-33-23-10-11-25-21(15-23)16-28-30(25)13-12-26(32)27-2/h3-11,14-16H,12-13,17H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyVMFCNBRXGQPUBV-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.38
Rot. Bonds8

About 3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide

3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide (PubChem CID 134809715) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
PubChem CID134809715
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3cccc(NC(C)=O)c3)ccc21
InChIInChI=1S/C26H26N4O3/c1-18(31)29-22-8-5-7-19(14-22)24-9-4-3-6-20(24)17-33-23-10-11-25-21(15-23)16-28-30(25)13-12-26(32)27-2/h3-11,14-16H,12-13,17H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyVMFCNBRXGQPUBV-UHFFFAOYSA-N
XLogP4.38
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide 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-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide (CID 134809715) is 3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide is CNC(=O)CCn1ncc2cc(OCc3ccccc3-c3cccc(NC(C)=O)c3)ccc21.
What is the InChIKey of 3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The InChIKey is VMFCNBRXGQPUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-18(31)29-22-8-5-7-19(14-22)24-9-4-3-6-20(24)17-33-23-10-11-25-21(15-23)16-28-30(25)13-12-26(32)27-2/h3-11,14-16H,12-13,17H2,1-2H3,(H,27,32)(H,29,31).
What are the key properties of 3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide has a molecular weight of 442.52 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(3-acetamidophenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 134809715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).