1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one

C23H22N4O2 — CID 16847234

IUPAC1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1ccccc1-n1ncc2c(C(C)C)nn(CC(=O)c3ccccc3)c(=O)c21
InChIInChI=1S/C23H22N4O2/c1-15(2)21-18-13-24-27(19-12-8-7-9-16(19)3)22(18)23(29)26(25-21)14-20(28)17-10-5-4-6-11-17/h4-13,15H,14H2,1-3H3
InChIKeyBPLWDYMIKJAQFN-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.90
Rot. Bonds5

About 1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one

1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16847234) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID16847234
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1ccccc1-n1ncc2c(C(C)C)nn(CC(=O)c3ccccc3)c(=O)c21
InChIInChI=1S/C23H22N4O2/c1-15(2)21-18-13-24-27(19-12-8-7-9-16(19)3)22(18)23(29)26(25-21)14-20(28)17-10-5-4-6-11-17/h4-13,15H,14H2,1-3H3
InChIKeyBPLWDYMIKJAQFN-UHFFFAOYSA-N
XLogP3.90
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one 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-methylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide
CID 16847243
N-(2,3-dimethylphenyl)-2-[1-(2-methylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847171
6-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846636
6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846606
6-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847219
1-(2-methylphenyl)-4-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-d]pyridazin-7-one
CID 16847226
benzyl 2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetate
CID 16847348
N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 16846937
1-(4-fluorophenyl)-6-[(2-methylphenyl)methyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847105
ethyl 2-[[2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]benzoate
CID 16846967
N-[(2-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847370
2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]-N-naphthalen-1-ylacetamide
CID 16847282

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one (CID 16847234) is 1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one is Cc1ccccc1-n1ncc2c(C(C)C)nn(CC(=O)c3ccccc3)c(=O)c21.
What is the InChIKey of 1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is BPLWDYMIKJAQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15(2)21-18-13-24-27(19-12-8-7-9-16(19)3)22(18)23(29)26(25-21)14-20(28)17-10-5-4-6-11-17/h4-13,15H,14H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 386.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16847234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).