3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide

C22H20N4O3 — CID 171059481

IUPAC3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide
SMILESCOc1cccc(-n2c(C)c3cnn(-c4cccc(C(N)=O)c4)c(=O)c3c2C)c1
InChIInChI=1S/C22H20N4O3/c1-13-19-12-24-26(17-8-4-6-15(10-17)21(23)27)22(28)20(19)14(2)25(13)16-7-5-9-18(11-16)29-3/h4-12H,1-3H3,(H2,23,27)
InChIKeyWRMMXASXSLSZBM-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.90
Rot. Bonds4

About 3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide

3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide (PubChem CID 171059481) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide
PubChem CID171059481
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide
SMILESCOc1cccc(-n2c(C)c3cnn(-c4cccc(C(N)=O)c4)c(=O)c3c2C)c1
InChIInChI=1S/C22H20N4O3/c1-13-19-12-24-26(17-8-4-6-15(10-17)21(23)27)22(28)20(19)14(2)25(13)16-7-5-9-18(11-16)29-3/h4-12H,1-3H3,(H2,23,27)
InChIKeyWRMMXASXSLSZBM-UHFFFAOYSA-N
XLogP2.90
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]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-[6-[3-(azetidin-1-yl)phenyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide
CID 170983231
3-[3-(hydroxymethyl)phenyl]-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 166126511
4-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylbenzamide
CID 170983217
6-(3-methoxyphenyl)-3-(6-methoxy-2-pyridinyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 170983377
3-(5-tert-butyl-2-pyridinyl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 170983355
3-(2,3-dihydropyridin-6-yl)-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 166126762
4-[3-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-6-yl]butanoic acid
CID 53212757
6-[3-(azetidin-1-yl)phenyl]-3-(4-methoxy-2-pyridinyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 170983373
6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 170983303
N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide
CID 170983230
6-[3-(azetidin-1-yl)phenyl]-5,7-dimethyl-3-(2-methyl-4-pyridinyl)pyrrolo[3,4-d]pyridazin-4-one
CID 166126516
5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
CID 166126765

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide?
The IUPAC name of 3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide (CID 171059481) is 3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide is COc1cccc(-n2c(C)c3cnn(-c4cccc(C(N)=O)c4)c(=O)c3c2C)c1.
What is the InChIKey of 3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide?
The InChIKey is WRMMXASXSLSZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-13-19-12-24-26(17-8-4-6-15(10-17)21(23)27)22(28)20(19)14(2)25(13)16-7-5-9-18(11-16)29-3/h4-12H,1-3H3,(H2,23,27).
What are the key properties of 3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide?
3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide is sourced from PubChem (CID 171059481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).