6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one

C23H25N3O4S — CID 23611730

IUPAC6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one
SMILESCc1cccc(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)ccc2=O)c1
InChIInChI=1S/C23H25N3O4S/c1-17-4-3-5-19(14-17)16-26-23(27)9-8-21(24-26)20-7-6-18(2)22(15-20)31(28,29)25-10-12-30-13-11-25/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyPNCUOSJPINVSIT-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.60
Rot. Bonds5

About 6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one

6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one (PubChem CID 23611730) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one
PubChem CID23611730
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one
SMILESCc1cccc(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)ccc2=O)c1
InChIInChI=1S/C23H25N3O4S/c1-17-4-3-5-19(14-17)16-26-23(27)9-8-21(24-26)20-7-6-18(2)22(15-20)31(28,29)25-10-12-30-13-11-25/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyPNCUOSJPINVSIT-UHFFFAOYSA-N
XLogP2.60
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-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

4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 8668021
N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611722
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 23611786
4-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]sulfonylmorpholine
CID 1252182
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611770
N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine
CID 53104691
N-(3-chlorophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine
CID 53104636
2-methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
CID 1080067
6-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridazin-3-one
CID 83278229
4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine
CID 7465712

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one (CID 23611730) is 6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one is Cc1cccc(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)ccc2=O)c1.
What is the InChIKey of 6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one?
The InChIKey is PNCUOSJPINVSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-17-4-3-5-19(14-17)16-26-23(27)9-8-21(24-26)20-7-6-18(2)22(15-20)31(28,29)25-10-12-30-13-11-25/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of 6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one?
6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one has a molecular weight of 439.54 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 23611730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).