N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine

C22H24N4O3S — CID 53104534

IUPACN-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
SMILESCOc1ccc(Nc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)nn2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16-5-6-17(15-21(16)30(27,28)26-13-3-4-14-26)20-11-12-22(25-24-20)23-18-7-9-19(29-2)10-8-18/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyJRGCSVAFJADHCS-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.99
Rot. Bonds6

About N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine

N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine (PubChem CID 53104534) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
PubChem CID53104534
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
SMILESCOc1ccc(Nc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)nn2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16-5-6-17(15-21(16)30(27,28)26-13-3-4-14-26)20-11-12-22(25-24-20)23-18-7-9-19(29-2)10-8-18/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyJRGCSVAFJADHCS-UHFFFAOYSA-N
XLogP3.99
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile
CID 53104600
N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104720
N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53010149
N-[(4-chlorophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104537
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
1-[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]azepane
CID 53104590
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine
CID 108777599
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843164
N-(3,5-dimethoxyphenyl)-5,7-dimethyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134702
6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine
CID 108774984

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine (CID 53104534) is N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine is COc1ccc(Nc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)nn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The InChIKey is JRGCSVAFJADHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-16-5-6-17(15-21(16)30(27,28)26-13-3-4-14-26)20-11-12-22(25-24-20)23-18-7-9-19(29-2)10-8-18/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine has a molecular weight of 424.53 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine is sourced from PubChem (CID 53104534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).