6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one

C22H20N4O3 — CID 16846606

IUPAC6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one
SMILESCOc1ccc(C(=O)Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)cc1
InChIInChI=1S/C22H20N4O3/c1-14-6-4-5-7-19(14)26-21-18(12-23-26)15(2)24-25(22(21)28)13-20(27)16-8-10-17(29-3)11-9-16/h4-12H,13H2,1-3H3
InChIKeyDCLVDTIKTDWKHA-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.09
Rot. Bonds5

About 6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one

6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16846606) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one
PubChem CID16846606
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one
SMILESCOc1ccc(C(=O)Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)cc1
InChIInChI=1S/C22H20N4O3/c1-14-6-4-5-7-19(14)26-21-18(12-23-26)15(2)24-25(22(21)28)13-20(27)16-8-10-17(29-3)11-9-16/h4-12H,13H2,1-3H3
InChIKeyDCLVDTIKTDWKHA-UHFFFAOYSA-N
XLogP3.09
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846636
1-(4-fluorophenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846469
1-(2-methylphenyl)-6-phenacyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847234
ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate
CID 16846551
2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16846564
6-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846918
N-(2,4-difluorophenyl)-2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846534
1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433738
5-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160468
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
4-[[2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzamide
CID 30607669
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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one (CID 16846606) is 6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one is COc1ccc(C(=O)Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is DCLVDTIKTDWKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-6-4-5-7-19(14)26-21-18(12-23-26)15(2)24-25(22(21)28)13-20(27)16-8-10-17(29-3)11-9-16/h4-12H,13H2,1-3H3.
What are the key properties of 6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one?
6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 388.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16846606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).