3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one

C26H33N3O5S — CID 68647684

IUPAC3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one
SMILESCOc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)C(=O)C(C)(C)C2)cc1OC
InChIInChI=1S/C26H33N3O5S/c1-18-7-6-8-21(15-18)35(31,32)28-13-11-20(12-14-28)29-25(30)26(2,3)17-22(27-29)19-9-10-23(33-4)24(16-19)34-5/h6-10,15-16,20H,11-14,17H2,1-5H3
InChIKeyHURWJFQCAYJYCV-UHFFFAOYSA-N
MW499.63 g/mol
LogP3.83
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one

3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one (PubChem CID 68647684) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one
PubChem CID68647684
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC Name3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one
SMILESCOc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)C(=O)C(C)(C)C2)cc1OC
InChIInChI=1S/C26H33N3O5S/c1-18-7-6-8-21(15-18)35(31,32)28-13-11-20(12-14-28)29-25(30)26(2,3)17-22(27-29)19-9-10-23(33-4)24(16-19)34-5/h6-10,15-16,20H,11-14,17H2,1-5H3
InChIKeyHURWJFQCAYJYCV-UHFFFAOYSA-N
XLogP3.83
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-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

5-(3,4-dimethoxyphenyl)-4,4-diethyl-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]pyrazol-3-one
CID 67365323
3-[4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxopyrazol-1-yl]piperidin-1-yl]sulfonylbenzoic acid
CID 46203370
5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(1-methylindol-4-yl)sulfonylpiperidin-4-yl]pyrazol-3-one
CID 67364380
5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrazol-3-one
CID 46202064
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 27444747
3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride
CID 68647583
2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride
CID 68647796
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
2-(1-benzoylpiperidin-4-yl)-5-(3,4-dimethoxyphenyl)-4,4-dimethylpyrazol-3-one
CID 46205949
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 53130632
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160541

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one (CID 68647684) is 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one is COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)C(=O)C(C)(C)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one?
The InChIKey is HURWJFQCAYJYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-18-7-6-8-21(15-18)35(31,32)28-13-11-20(12-14-28)29-25(30)26(2,3)17-22(27-29)19-9-10-23(33-4)24(16-19)34-5/h6-10,15-16,20H,11-14,17H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one?
3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one has a molecular weight of 499.63 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4H-pyridazin-6-one is sourced from PubChem (CID 68647684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).