2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide

C22H20N6O3 — CID 16883274

IUPAC2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4ccccc4C(N)=O)cnc32)cc1
InChIInChI=1S/C22H20N6O3/c1-14-6-8-15(9-7-14)28-21-17(12-25-28)22(31)27(13-24-21)11-10-19(29)26-18-5-3-2-4-16(18)20(23)30/h2-9,12-13H,10-11H2,1H3,(H2,23,30)(H,26,29)
InChIKeyGGSUPNXPKCZOMG-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.02
Rot. Bonds6

About 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide

2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide (PubChem CID 16883274) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide
PubChem CID16883274
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4ccccc4C(N)=O)cnc32)cc1
InChIInChI=1S/C22H20N6O3/c1-14-6-8-15(9-7-14)28-21-17(12-25-28)22(31)27(13-24-21)11-10-19(29)26-18-5-3-2-4-16(18)20(23)30/h2-9,12-13H,10-11H2,1H3,(H2,23,30)(H,26,29)
InChIKeyGGSUPNXPKCZOMG-UHFFFAOYSA-N
XLogP2.02
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide 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-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide
CID 16883207
3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylquinolin-4-yl)propanamide
CID 16883244
N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433592
N-(3-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882839
N-(2,4-dichlorophenyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882430
3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
CID 16882781
N-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883143
N-(3-fluoro-4-methylphenyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882453
N-(1,2-oxazol-3-yl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882476
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 16595195
3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16882872
3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide
CID 16882977

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide?
The IUPAC name of 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide (CID 16883274) is 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide.
What is the SMILES notation for 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide?
The canonical SMILES for 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide is Cc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4ccccc4C(N)=O)cnc32)cc1.
What is the InChIKey of 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide?
The InChIKey is GGSUPNXPKCZOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-14-6-8-15(9-7-14)28-21-17(12-25-28)22(31)27(13-24-21)11-10-19(29)26-18-5-3-2-4-16(18)20(23)30/h2-9,12-13H,10-11H2,1H3,(H2,23,30)(H,26,29).
What are the key properties of 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide?
2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide has a molecular weight of 416.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide is sourced from PubChem (CID 16883274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).