2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide

C27H23N5O3 — CID 30693016

IUPAC2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4Oc4ccccc4)cnc32)c1
InChIInChI=1S/C27H23N5O3/c1-18-12-19(2)14-20(13-18)32-26-22(15-29-32)27(34)31(17-28-26)16-25(33)30-23-10-6-7-11-24(23)35-21-8-4-3-5-9-21/h3-15,17H,16H2,1-2H3,(H,30,33)
InChIKeyLDABKSARFMBBOU-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.63
Rot. Bonds6

About 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide

2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide (PubChem CID 30693016) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide
PubChem CID30693016
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC Name2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4Oc4ccccc4)cnc32)c1
InChIInChI=1S/C27H23N5O3/c1-18-12-19(2)14-20(13-18)32-26-22(15-29-32)27(34)31(17-28-26)16-25(33)30-23-10-6-7-11-24(23)35-21-8-4-3-5-9-21/h3-15,17H,16H2,1-2H3,(H,30,33)
InChIKeyLDABKSARFMBBOU-UHFFFAOYSA-N
XLogP4.63
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide 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

N-(2-bromophenyl)-2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 30693387
N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433592
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 30692847
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433650
N-(5-chloro-2-methoxyphenyl)-2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 30693333
2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 3236282
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30693258
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 30693711
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(methylcarbamoyl)acetamide
CID 30694252
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 16595195
2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)acetamide
CID 7243703
N-(2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7243625

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide (CID 30693016) is 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide is Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4Oc4ccccc4)cnc32)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is LDABKSARFMBBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-18-12-19(2)14-20(13-18)32-26-22(15-29-32)27(34)31(17-28-26)16-25(33)30-23-10-6-7-11-24(23)35-21-8-4-3-5-9-21/h3-15,17H,16H2,1-2H3,(H,30,33).
What are the key properties of 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide?
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 465.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 30693016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).