2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide

C23H23N5O2 — CID 16846665

IUPAC2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(C)cc4C)c3c2=O)cc1
InChIInChI=1S/C23H23N5O2/c1-14-5-8-18(9-6-14)25-21(29)13-27-23(30)22-19(17(4)26-27)12-24-28(22)20-10-7-15(2)11-16(20)3/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyWZGPBFLASNAMSM-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.45
Rot. Bonds4

About 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide

2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide (PubChem CID 16846665) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide
PubChem CID16846665
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(C)cc4C)c3c2=O)cc1
InChIInChI=1S/C23H23N5O2/c1-14-5-8-18(9-6-14)25-21(29)13-27-23(30)22-19(17(4)26-27)12-24-28(22)20-10-7-15(2)11-16(20)3/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyWZGPBFLASNAMSM-UHFFFAOYSA-N
XLogP3.45
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)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

2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
CID 16846748
2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-fluorophenyl)acetamide
CID 16846672
N-(4-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846904
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
CID 16846814
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-phenylacetamide
CID 16846801
2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 30607712
6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846719
N-(2,4-difluorophenyl)-2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846534
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846658
N-(3,4-dichlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846906
2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide
CID 30607724
2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16846137

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide (CID 16846665) is 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(C)cc4C)c3c2=O)cc1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is WZGPBFLASNAMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-5-8-18(9-6-14)25-21(29)13-27-23(30)22-19(17(4)26-27)12-24-28(22)20-10-7-15(2)11-16(20)3/h5-12H,13H2,1-4H3,(H,25,29).
What are the key properties of 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide?
2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 16846665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).