N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine

C22H28N6O3S — CID 122335682

IUPACN,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)CC2)nn1
InChIInChI=1S/C22H28N6O3S/c1-4-26(5-2)21-10-11-22(25-24-21)27-12-14-28(15-13-27)32(29,30)19-8-6-18(7-9-19)20-16-31-17(3)23-20/h6-11,16H,4-5,12-15H2,1-3H3
InChIKeyHWZBQPJAIDBUIT-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.80
Rot. Bonds7

About N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine

N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine (PubChem CID 122335682) has the molecular formula C22H28N6O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
PubChem CID122335682
Molecular FormulaC22H28N6O3S
Molecular Weight456.57 g/mol
Exact Mass456.19
IUPAC NameN,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)CC2)nn1
InChIInChI=1S/C22H28N6O3S/c1-4-26(5-2)21-10-11-22(25-24-21)27-12-14-28(15-13-27)32(29,30)19-8-6-18(7-9-19)20-16-31-17(3)23-20/h6-11,16H,4-5,12-15H2,1-3H3
InChIKeyHWZBQPJAIDBUIT-UHFFFAOYSA-N
XLogP2.80
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-4-[4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 122336263
6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347291
N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 121053157
4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122340941
6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine
CID 122335661
2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole
CID 56791969
4-[4-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 122345276
4-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 122338409
2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348865
1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974771
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053001
3-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992578

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine (CID 122335682) is N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine is CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)CC2)nn1.
What is the InChIKey of N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The InChIKey is HWZBQPJAIDBUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S/c1-4-26(5-2)21-10-11-22(25-24-21)27-12-14-28(15-13-27)32(29,30)19-8-6-18(7-9-19)20-16-31-17(3)23-20/h6-11,16H,4-5,12-15H2,1-3H3.
What are the key properties of N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine has a molecular weight of 456.57 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 122335682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).