4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine

C17H25N7O3S — CID 122335366

IUPAC4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C17H25N7O3S/c1-13-17(14(2)19-18-13)28(25,26)24-7-5-22(6-8-24)15-3-4-16(21-20-15)23-9-11-27-12-10-23/h3-4H,5-12H2,1-2H3,(H,18,19)
InChIKeySTNNMXWPWRSBAA-UHFFFAOYSA-N
MW407.50 g/mol
LogP0.16
Rot. Bonds4

About 4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine

4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 122335366) has the molecular formula C17H25N7O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID122335366
Molecular FormulaC17H25N7O3S
Molecular Weight407.50 g/mol
Exact Mass407.17
IUPAC Name4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C17H25N7O3S/c1-13-17(14(2)19-18-13)28(25,26)24-7-5-22(6-8-24)15-3-4-16(21-20-15)23-9-11-27-12-10-23/h3-4H,5-12H2,1-2H3,(H,18,19)
InChIKeySTNNMXWPWRSBAA-UHFFFAOYSA-N
XLogP0.16
TPSA107.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 26843191
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine
CID 113077495
1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113079952
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
CID 46976898
3,5-dimethyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 121053065
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335405
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepane
CID 16768219
6-(azetidin-1-yl)-3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912601

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine (CID 122335366) is 4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of 4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is STNNMXWPWRSBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O3S/c1-13-17(14(2)19-18-13)28(25,26)24-7-5-22(6-8-24)15-3-4-16(21-20-15)23-9-11-27-12-10-23/h3-4H,5-12H2,1-2H3,(H,18,19).
What are the key properties of 4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine?
4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 407.50 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 122335366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).