4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide

C20H21N3O2 — CID 22510125

IUPAC4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
SMILESCc1ccc(CNC(=O)CCC(=O)n2ncc3cc(C)ccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-14-3-6-16(7-4-14)12-21-19(24)9-10-20(25)23-18-8-5-15(2)11-17(18)13-22-23/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyOYAAXNALWGPEBD-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.39
Rot. Bonds5

About 4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide

4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide (PubChem CID 22510125) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
PubChem CID22510125
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
SMILESCc1ccc(CNC(=O)CCC(=O)n2ncc3cc(C)ccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-14-3-6-16(7-4-14)12-21-19(24)9-10-20(25)23-18-8-5-15(2)11-17(18)13-22-23/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyOYAAXNALWGPEBD-UHFFFAOYSA-N
XLogP3.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide 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 4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide (CID 22510125) is 4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide is Cc1ccc(CNC(=O)CCC(=O)n2ncc3cc(C)ccc32)cc1.
What is the InChIKey of 4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
The InChIKey is OYAAXNALWGPEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-3-6-16(7-4-14)12-21-19(24)9-10-20(25)23-18-8-5-15(2)11-17(18)13-22-23/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of 4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide has a molecular weight of 335.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylindazol-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 22510125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).